heptyl 2-[cyclopropanecarbonyl(methyl)amino]acetate

C14H25NO3 — CID 91704966

IUPACheptyl 2-[cyclopropanecarbonyl(methyl)amino]acetate
SMILESCCCCCCCOC(=O)CN(C)C(=O)C1CC1
InChIInChI=1S/C14H25NO3/c1-3-4-5-6-7-10-18-13(16)11-15(2)14(17)12-8-9-12/h12H,3-11H2,1-2H3
InChIKeyRJHZLDVRQVLVTR-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.37
Rot. Bonds9

About heptyl 2-[cyclopropanecarbonyl(methyl)amino]acetate

heptyl 2-[cyclopropanecarbonyl(methyl)amino]acetate (PubChem CID 91704966) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is heptyl 2-[cyclopropanecarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Nameheptyl 2-[cyclopropanecarbonyl(methyl)amino]acetate
PubChem CID91704966
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameheptyl 2-[cyclopropanecarbonyl(methyl)amino]acetate
SMILESCCCCCCCOC(=O)CN(C)C(=O)C1CC1
InChIInChI=1S/C14H25NO3/c1-3-4-5-6-7-10-18-13(16)11-15(2)14(17)12-8-9-12/h12H,3-11H2,1-2H3
InChIKeyRJHZLDVRQVLVTR-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octyl 2-[cyclopentanecarbonyl(methyl)amino]acetate
CID 91692144
propyl 2-[cyclopentanecarbonyl(methyl)amino]acetate
CID 91692141
octadecyl 2-[methoxycarbonyl(methyl)amino]acetate
CID 91703023
octadecyl 2-[methyl(tetradecanoyl)amino]acetate
CID 141251537
pentadecyl 2-[hexanoyl(methyl)amino]acetate
CID 91692238
octyl 2-[ethoxycarbonyl(methyl)amino]acetate
CID 91709596
4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
pentadecyl cyclopropanecarboxylate
CID 560133
hexadecyl cyclopropanecarboxylate;silver
CID 87290012
dodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 6421879
octyl 2-[(2-chlorobenzoyl)-methylamino]acetate
CID 91716463
heptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 91719245

Frequently Asked Questions

What is the IUPAC name of heptyl 2-[cyclopropanecarbonyl(methyl)amino]acetate?
The IUPAC name of heptyl 2-[cyclopropanecarbonyl(methyl)amino]acetate (CID 91704966) is heptyl 2-[cyclopropanecarbonyl(methyl)amino]acetate.
What is the SMILES notation for heptyl 2-[cyclopropanecarbonyl(methyl)amino]acetate?
The canonical SMILES for heptyl 2-[cyclopropanecarbonyl(methyl)amino]acetate is CCCCCCCOC(=O)CN(C)C(=O)C1CC1.
What is the InChIKey of heptyl 2-[cyclopropanecarbonyl(methyl)amino]acetate?
The InChIKey is RJHZLDVRQVLVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-4-5-6-7-10-18-13(16)11-15(2)14(17)12-8-9-12/h12H,3-11H2,1-2H3.
What are the key properties of heptyl 2-[cyclopropanecarbonyl(methyl)amino]acetate?
heptyl 2-[cyclopropanecarbonyl(methyl)amino]acetate has a molecular weight of 255.36 g/mol, XLogP of 2.37, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl 2-[cyclopropanecarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91704966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).