10-(cyclopropylamino)-10-oxodecanoic acid;8-(cyclopropylamino)-8-oxooctanoic acid;8-(cyclopropylmethylamino)-8-oxooctanoic acid;methyl 10-(cyclopropylamino)-10-oxodecanoate;methyl 8-(cyclopropylamino)-8-oxooctanoate;methyl 8-(cyclopropylmethylamino)-8-oxooctanoate

C75H132N6O18 — CID 158067661

IUPAC10-(cyclopropylamino)-10-oxodecanoic acid;8-(cyclopropylamino)-8-oxooctanoic acid;8-(cyclopropylmethylamino)-8-oxooctanoic acid;methyl 10-(cyclopropylamino)-10-oxodecanoate;methyl 8-(cyclopropylamino)-8-oxooctanoate;methyl 8-(cyclopropylmethylamino)-8-oxooctanoate
SMILESCOC(=O)CCCCCCC(=O)NC1CC1.COC(=O)CCCCCCC(=O)NCC1CC1.COC(=O)CCCCCCCCC(=O)NC1CC1.O=C(O)CCCCCCC(=O)NC1CC1.O=C(O)CCCCCCC(=O)NCC1CC1.O=C(O)CCCCCCCCC(=O)NC1CC1
InChIInChI=1S/C14H25NO3.2C13H23NO3.2C12H21NO3.C11H19NO3/c1-18-14(17)9-7-5-3-2-4-6-8-13(16)15-12-10-11-12;1-17-13(16)7-5-3-2-4-6-12(15)14-10-11-8-9-11;15-12(14-11-9-10-11)7-5-3-1-2-4-6-8-13(16)17;1-16-12(15)7-5-3-2-4-6-11(14)13-10-8-9-10;14-11(13-9-10-7-8-10)5-3-1-2-4-6-12(15)16;13-10(12-9-7-8-9)5-3-1-2-4-6-11(14)15/h12H,2-11H2,1H3,(H,15,16);11H,2-10H2,1H3,(H,14,15);11H,1-10H2,(H,14,15)(H,16,17);10H,2-9H2,1H3,(H,13,14);10H,1-9H2,(H,13,14)(H,15,16);9H,1-8H2,(H,12,13)(H,14,15)
InChIKeyFLKXDRYNQZOBJB-UHFFFAOYSA-N
MW1405.90 g/mol
LogP12.46
Rot. Bonds54

About 10-(cyclopropylamino)-10-oxodecanoic acid;8-(cyclopropylamino)-8-oxooctanoic acid;8-(cyclopropylmethylamino)-8-oxooctanoic acid;methyl 10-(cyclopropylamino)-10-oxodecanoate;methyl 8-(cyclopropylamino)-8-oxooctanoate;methyl 8-(cyclopropylmethylamino)-8-oxooctanoate

10-(cyclopropylamino)-10-oxodecanoic acid;8-(cyclopropylamino)-8-oxooctanoic acid;8-(cyclopropylmethylamino)-8-oxooctanoic acid;methyl 10-(cyclopropylamino)-10-oxodecanoate;methyl 8-(cyclopropylamino)-8-oxooctanoate;methyl 8-(cyclopropylmethylamino)-8-oxooctanoate (PubChem CID 158067661) has the molecular formula C75H132N6O18 and a molecular weight of 1405.90 g/mol. Its IUPAC name is 10-(cyclopropylamino)-10-oxodecanoic acid;8-(cyclopropylamino)-8-oxooctanoic acid;8-(cyclopropylmethylamino)-8-oxooctanoic acid;methyl 10-(cyclopropylamino)-10-oxodecanoate;methyl 8-(cyclopropylamino)-8-oxooctanoate;methyl 8-(cyclopropylmethylamino)-8-oxooctanoate.

Molecular Properties

Compound Name10-(cyclopropylamino)-10-oxodecanoic acid;8-(cyclopropylamino)-8-oxooctanoic acid;8-(cyclopropylmethylamino)-8-oxooctanoic acid;methyl 10-(cyclopropylamino)-10-oxodecanoate;methyl 8-(cyclopropylamino)-8-oxooctanoate;methyl 8-(cyclopropylmethylamino)-8-oxooctanoate
PubChem CID158067661
Molecular FormulaC75H132N6O18
Molecular Weight1405.90 g/mol
Exact Mass1404.96
IUPAC Name10-(cyclopropylamino)-10-oxodecanoic acid;8-(cyclopropylamino)-8-oxooctanoic acid;8-(cyclopropylmethylamino)-8-oxooctanoic acid;methyl 10-(cyclopropylamino)-10-oxodecanoate;methyl 8-(cyclopropylamino)-8-oxooctanoate;methyl 8-(cyclopropylmethylamino)-8-oxooctanoate
SMILESCOC(=O)CCCCCCC(=O)NC1CC1.COC(=O)CCCCCCC(=O)NCC1CC1.COC(=O)CCCCCCCCC(=O)NC1CC1.O=C(O)CCCCCCC(=O)NC1CC1.O=C(O)CCCCCCC(=O)NCC1CC1.O=C(O)CCCCCCCCC(=O)NC1CC1
InChIInChI=1S/C14H25NO3.2C13H23NO3.2C12H21NO3.C11H19NO3/c1-18-14(17)9-7-5-3-2-4-6-8-13(16)15-12-10-11-12;1-17-13(16)7-5-3-2-4-6-12(15)14-10-11-8-9-11;15-12(14-11-9-10-11)7-5-3-1-2-4-6-8-13(16)17;1-16-12(15)7-5-3-2-4-6-11(14)13-10-8-9-10;14-11(13-9-10-7-8-10)5-3-1-2-4-6-12(15)16;13-10(12-9-7-8-9)5-3-1-2-4-6-11(14)15/h12H,2-11H2,1H3,(H,15,16);11H,2-10H2,1H3,(H,14,15);11H,1-10H2,(H,14,15)(H,16,17);10H,2-9H2,1H3,(H,13,14);10H,1-9H2,(H,13,14)(H,15,16);9H,1-8H2,(H,12,13)(H,14,15)
InChIKeyFLKXDRYNQZOBJB-UHFFFAOYSA-N
XLogP12.46
TPSA365.40 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds54
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001405.90
LogP ≤ 512.46
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 10-(cyclopropylamino)-10-oxodecanoic acid;8-(cyclopropylamino)-8-oxooctanoic acid;8-(cyclopropylmethylamino)-8-oxooctanoic acid;methyl 10-(cyclopropylamino)-10-oxodecanoate;methyl 8-(cyclopropylamino)-8-oxooctanoate;methyl 8-(cyclopropylmethylamino)-8-oxooctanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(cyclopropylamino)-10-oxodecanoic acid;8-(cyclopropylamino)-8-oxooctanoic acid;8-(cyclopropylmethylamino)-8-oxooctanoic acid;methyl 10-(cyclopropylamino)-10-oxodecanoate;methyl 8-(cyclopropylamino)-8-oxooctanoate;methyl 8-(cyclopropylmethylamino)-8-oxooctanoate?
The IUPAC name of 10-(cyclopropylamino)-10-oxodecanoic acid;8-(cyclopropylamino)-8-oxooctanoic acid;8-(cyclopropylmethylamino)-8-oxooctanoic acid;methyl 10-(cyclopropylamino)-10-oxodecanoate;methyl 8-(cyclopropylamino)-8-oxooctanoate;methyl 8-(cyclopropylmethylamino)-8-oxooctanoate (CID 158067661) is 10-(cyclopropylamino)-10-oxodecanoic acid;8-(cyclopropylamino)-8-oxooctanoic acid;8-(cyclopropylmethylamino)-8-oxooctanoic acid;methyl 10-(cyclopropylamino)-10-oxodecanoate;methyl 8-(cyclopropylamino)-8-oxooctanoate;methyl 8-(cyclopropylmethylamino)-8-oxooctanoate.
What is the SMILES notation for 10-(cyclopropylamino)-10-oxodecanoic acid;8-(cyclopropylamino)-8-oxooctanoic acid;8-(cyclopropylmethylamino)-8-oxooctanoic acid;methyl 10-(cyclopropylamino)-10-oxodecanoate;methyl 8-(cyclopropylamino)-8-oxooctanoate;methyl 8-(cyclopropylmethylamino)-8-oxooctanoate?
The canonical SMILES for 10-(cyclopropylamino)-10-oxodecanoic acid;8-(cyclopropylamino)-8-oxooctanoic acid;8-(cyclopropylmethylamino)-8-oxooctanoic acid;methyl 10-(cyclopropylamino)-10-oxodecanoate;methyl 8-(cyclopropylamino)-8-oxooctanoate;methyl 8-(cyclopropylmethylamino)-8-oxooctanoate is COC(=O)CCCCCCC(=O)NC1CC1.COC(=O)CCCCCCC(=O)NCC1CC1.COC(=O)CCCCCCCCC(=O)NC1CC1.O=C(O)CCCCCCC(=O)NC1CC1.O=C(O)CCCCCCC(=O)NCC1CC1.O=C(O)CCCCCCCCC(=O)NC1CC1.
What is the InChIKey of 10-(cyclopropylamino)-10-oxodecanoic acid;8-(cyclopropylamino)-8-oxooctanoic acid;8-(cyclopropylmethylamino)-8-oxooctanoic acid;methyl 10-(cyclopropylamino)-10-oxodecanoate;methyl 8-(cyclopropylamino)-8-oxooctanoate;methyl 8-(cyclopropylmethylamino)-8-oxooctanoate?
The InChIKey is FLKXDRYNQZOBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3.2C13H23NO3.2C12H21NO3.C11H19NO3/c1-18-14(17)9-7-5-3-2-4-6-8-13(16)15-12-10-11-12;1-17-13(16)7-5-3-2-4-6-12(15)14-10-11-8-9-11;15-12(14-11-9-10-11)7-5-3-1-2-4-6-8-13(16)17;1-16-12(15)7-5-3-2-4-6-11(14)13-10-8-9-10;14-11(13-9-10-7-8-10)5-3-1-2-4-6-12(15)16;13-10(12-9-7-8-9)5-3-1-2-4-6-11(14)15/h12H,2-11H2,1H3,(H,15,16);11H,2-10H2,1H3,(H,14,15);11H,1-10H2,(H,14,15)(H,16,17);10H,2-9H2,1H3,(H,13,14);10H,1-9H2,(H,13,14)(H,15,16);9H,1-8H2,(H,12,13)(H,14,15).
What are the key properties of 10-(cyclopropylamino)-10-oxodecanoic acid;8-(cyclopropylamino)-8-oxooctanoic acid;8-(cyclopropylmethylamino)-8-oxooctanoic acid;methyl 10-(cyclopropylamino)-10-oxodecanoate;methyl 8-(cyclopropylamino)-8-oxooctanoate;methyl 8-(cyclopropylmethylamino)-8-oxooctanoate?
10-(cyclopropylamino)-10-oxodecanoic acid;8-(cyclopropylamino)-8-oxooctanoic acid;8-(cyclopropylmethylamino)-8-oxooctanoic acid;methyl 10-(cyclopropylamino)-10-oxodecanoate;methyl 8-(cyclopropylamino)-8-oxooctanoate;methyl 8-(cyclopropylmethylamino)-8-oxooctanoate has a molecular weight of 1405.90 g/mol, XLogP of 12.46, 54 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclopropylamino)-10-oxodecanoic acid;8-(cyclopropylamino)-8-oxooctanoic acid;8-(cyclopropylmethylamino)-8-oxooctanoic acid;methyl 10-(cyclopropylamino)-10-oxodecanoate;methyl 8-(cyclopropylamino)-8-oxooctanoate;methyl 8-(cyclopropylmethylamino)-8-oxooctanoate is sourced from PubChem (CID 158067661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).