methyl (7S)-7-amino-8-(cyclopentylamino)-8-oxooctanoate

C14H26N2O3 — CID 72946638

IUPACmethyl (7S)-7-amino-8-(cyclopentylamino)-8-oxooctanoate
SMILESCOC(=O)CCCCC[C@H](N)C(=O)NC1CCCC1
InChIInChI=1S/C14H26N2O3/c1-19-13(17)10-4-2-3-9-12(15)14(18)16-11-7-5-6-8-11/h11-12H,2-10,15H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyXDFLEVIJIYJQFT-LBPRGKRZSA-N
MW270.37 g/mol
LogP1.50
Rot. Bonds8

About methyl (7S)-7-amino-8-(cyclopentylamino)-8-oxooctanoate

methyl (7S)-7-amino-8-(cyclopentylamino)-8-oxooctanoate (PubChem CID 72946638) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl (7S)-7-amino-8-(cyclopentylamino)-8-oxooctanoate.

Molecular Properties

Compound Namemethyl (7S)-7-amino-8-(cyclopentylamino)-8-oxooctanoate
PubChem CID72946638
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl (7S)-7-amino-8-(cyclopentylamino)-8-oxooctanoate
SMILESCOC(=O)CCCCC[C@H](N)C(=O)NC1CCCC1
InChIInChI=1S/C14H26N2O3/c1-19-13(17)10-4-2-3-9-12(15)14(18)16-11-7-5-6-8-11/h11-12H,2-10,15H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyXDFLEVIJIYJQFT-LBPRGKRZSA-N
XLogP1.50
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902
methyl 6-(cyclopentylamino)-6-oxohexanoate
CID 162372122
(2S)-2-amino-7-methoxy-7-oxoheptanoic acid
CID 10679200
2-amino-N-cyclooctyl-4-methylsulfonylbutanamide
CID 24708067
2-amino-N-cyclooctyl-3-methoxypropanamide
CID 81082114
(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
methyl 14-[(2-amino-4-sulfanylbutanoyl)amino]tetradecanoate
CID 123416105
cyclohexanol;dimethyl hexanedioate
CID 19805859
trimethyl heptadecane-1,7,17-tricarboxylate
CID 102526998
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762

Frequently Asked Questions

What is the IUPAC name of methyl (7S)-7-amino-8-(cyclopentylamino)-8-oxooctanoate?
The IUPAC name of methyl (7S)-7-amino-8-(cyclopentylamino)-8-oxooctanoate (CID 72946638) is methyl (7S)-7-amino-8-(cyclopentylamino)-8-oxooctanoate.
What is the SMILES notation for methyl (7S)-7-amino-8-(cyclopentylamino)-8-oxooctanoate?
The canonical SMILES for methyl (7S)-7-amino-8-(cyclopentylamino)-8-oxooctanoate is COC(=O)CCCCC[C@H](N)C(=O)NC1CCCC1.
What is the InChIKey of methyl (7S)-7-amino-8-(cyclopentylamino)-8-oxooctanoate?
The InChIKey is XDFLEVIJIYJQFT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-19-13(17)10-4-2-3-9-12(15)14(18)16-11-7-5-6-8-11/h11-12H,2-10,15H2,1H3,(H,16,18)/t12-/m0/s1.
What are the key properties of methyl (7S)-7-amino-8-(cyclopentylamino)-8-oxooctanoate?
methyl (7S)-7-amino-8-(cyclopentylamino)-8-oxooctanoate has a molecular weight of 270.37 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7S)-7-amino-8-(cyclopentylamino)-8-oxooctanoate is sourced from PubChem (CID 72946638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).