methyl 6-(cyclopentylamino)-6-oxohexanoate

C12H21NO3 — CID 162372122

IUPACmethyl 6-(cyclopentylamino)-6-oxohexanoate
SMILESCOC(=O)CCCCC(=O)NC1CCCC1
InChIInChI=1S/C12H21NO3/c1-16-12(15)9-5-4-8-11(14)13-10-6-2-3-7-10/h10H,2-9H2,1H3,(H,13,14)
InChIKeyWNOWFKFSSDHBTQ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.78
Rot. Bonds6

About methyl 6-(cyclopentylamino)-6-oxohexanoate

methyl 6-(cyclopentylamino)-6-oxohexanoate (PubChem CID 162372122) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 6-(cyclopentylamino)-6-oxohexanoate.

Molecular Properties

Compound Namemethyl 6-(cyclopentylamino)-6-oxohexanoate
PubChem CID162372122
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 6-(cyclopentylamino)-6-oxohexanoate
SMILESCOC(=O)CCCCC(=O)NC1CCCC1
InChIInChI=1S/C12H21NO3/c1-16-12(15)9-5-4-8-11(14)13-10-6-2-3-7-10/h10H,2-9H2,1H3,(H,13,14)
InChIKeyWNOWFKFSSDHBTQ-UHFFFAOYSA-N
XLogP1.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
5-chloro-N-cyclooctylpentanamide
CID 28733608
N-cyclohexyl-5-hydroxypentanamide
CID 11367641
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
methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate
CID 10900833
methyl (7S)-7-amino-8-(cyclopentylamino)-8-oxooctanoate
CID 72946638
N-cycloheptyl-3-methoxypropanamide
CID 110839127
N-cyclobutylhexadecanamide
CID 67041463
N-cyclobutylicosanamide
CID 10384249
N,N'-dicyclopropyldecanediamide
CID 4668836
cyclohexanol;dimethyl hexanedioate
CID 19805859

Frequently Asked Questions

What is the IUPAC name of methyl 6-(cyclopentylamino)-6-oxohexanoate?
The IUPAC name of methyl 6-(cyclopentylamino)-6-oxohexanoate (CID 162372122) is methyl 6-(cyclopentylamino)-6-oxohexanoate.
What is the SMILES notation for methyl 6-(cyclopentylamino)-6-oxohexanoate?
The canonical SMILES for methyl 6-(cyclopentylamino)-6-oxohexanoate is COC(=O)CCCCC(=O)NC1CCCC1.
What is the InChIKey of methyl 6-(cyclopentylamino)-6-oxohexanoate?
The InChIKey is WNOWFKFSSDHBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-16-12(15)9-5-4-8-11(14)13-10-6-2-3-7-10/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of methyl 6-(cyclopentylamino)-6-oxohexanoate?
methyl 6-(cyclopentylamino)-6-oxohexanoate has a molecular weight of 227.30 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cyclopentylamino)-6-oxohexanoate is sourced from PubChem (CID 162372122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).