methyl 4-[(2-cyclopentylacetyl)amino]butanoate

C12H21NO3 — CID 51072819

IUPACmethyl 4-[(2-cyclopentylacetyl)amino]butanoate
SMILESCOC(=O)CCCNC(=O)CC1CCCC1
InChIInChI=1S/C12H21NO3/c1-16-12(15)7-4-8-13-11(14)9-10-5-2-3-6-10/h10H,2-9H2,1H3,(H,13,14)
InChIKeyOPTBXORARUMSEG-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.64
Rot. Bonds6

About methyl 4-[(2-cyclopentylacetyl)amino]butanoate

methyl 4-[(2-cyclopentylacetyl)amino]butanoate (PubChem CID 51072819) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 4-[(2-cyclopentylacetyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2-cyclopentylacetyl)amino]butanoate
PubChem CID51072819
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 4-[(2-cyclopentylacetyl)amino]butanoate
SMILESCOC(=O)CCCNC(=O)CC1CCCC1
InChIInChI=1S/C12H21NO3/c1-16-12(15)7-4-8-13-11(14)9-10-5-2-3-6-10/h10H,2-9H2,1H3,(H,13,14)
InChIKeyOPTBXORARUMSEG-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
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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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-cyclopentylacetyl)amino]butanoate?
The IUPAC name of methyl 4-[(2-cyclopentylacetyl)amino]butanoate (CID 51072819) is methyl 4-[(2-cyclopentylacetyl)amino]butanoate.
What is the SMILES notation for methyl 4-[(2-cyclopentylacetyl)amino]butanoate?
The canonical SMILES for methyl 4-[(2-cyclopentylacetyl)amino]butanoate is COC(=O)CCCNC(=O)CC1CCCC1.
What is the InChIKey of methyl 4-[(2-cyclopentylacetyl)amino]butanoate?
The InChIKey is OPTBXORARUMSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-16-12(15)7-4-8-13-11(14)9-10-5-2-3-6-10/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of methyl 4-[(2-cyclopentylacetyl)amino]butanoate?
methyl 4-[(2-cyclopentylacetyl)amino]butanoate has a molecular weight of 227.30 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-cyclopentylacetyl)amino]butanoate is sourced from PubChem (CID 51072819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).