methyl 3-[cyclopentyl(propanoyl)amino]propanoate

C12H21NO3 — CID 48865277

IUPACmethyl 3-[cyclopentyl(propanoyl)amino]propanoate
SMILESCCC(=O)N(CCC(=O)OC)C1CCCC1
InChIInChI=1S/C12H21NO3/c1-3-11(14)13(9-8-12(15)16-2)10-6-4-5-7-10/h10H,3-9H2,1-2H3
InChIKeyVIYMGCCZBCJEOG-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.73
Rot. Bonds5

About methyl 3-[cyclopentyl(propanoyl)amino]propanoate

methyl 3-[cyclopentyl(propanoyl)amino]propanoate (PubChem CID 48865277) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 3-[cyclopentyl(propanoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[cyclopentyl(propanoyl)amino]propanoate
PubChem CID48865277
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 3-[cyclopentyl(propanoyl)amino]propanoate
SMILESCCC(=O)N(CCC(=O)OC)C1CCCC1
InChIInChI=1S/C12H21NO3/c1-3-11(14)13(9-8-12(15)16-2)10-6-4-5-7-10/h10H,3-9H2,1-2H3
InChIKeyVIYMGCCZBCJEOG-UHFFFAOYSA-N
XLogP1.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate
CID 48865248
methyl 3-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-ethylamino]propanoate
CID 62026607
methyl 3-[2-[bis[2-[cyclododecyl-(3-methoxy-3-oxopropyl)amino]ethyl]amino]ethyl-cyclododecylamino]propanoate
CID 15664430
methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate
CID 115174643
methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615
N-(3-bromopropyl)-N-cyclobutylpropanamide
CID 102872394
methyl 2-[cyclopentyl(4-ethoxybutanoyl)amino]acetate
CID 80709869
methyl 3-[[(3S)-1,1-dioxothiolan-3-yl]-pentanoylamino]propanoate
CID 39884771
methyl 3-[acetyl(piperidin-4-yl)amino]propanoate;hydrochloride
CID 67598911
ethyl 3-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 22397343
N-cyclopentyl-N-propanoylpropanamide
CID 89181027
N-(2-bromoethyl)-N-cyclopropylpropanamide
CID 80665634

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclopentyl(propanoyl)amino]propanoate?
The IUPAC name of methyl 3-[cyclopentyl(propanoyl)amino]propanoate (CID 48865277) is methyl 3-[cyclopentyl(propanoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[cyclopentyl(propanoyl)amino]propanoate?
The canonical SMILES for methyl 3-[cyclopentyl(propanoyl)amino]propanoate is CCC(=O)N(CCC(=O)OC)C1CCCC1.
What is the InChIKey of methyl 3-[cyclopentyl(propanoyl)amino]propanoate?
The InChIKey is VIYMGCCZBCJEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-11(14)13(9-8-12(15)16-2)10-6-4-5-7-10/h10H,3-9H2,1-2H3.
What are the key properties of methyl 3-[cyclopentyl(propanoyl)amino]propanoate?
methyl 3-[cyclopentyl(propanoyl)amino]propanoate has a molecular weight of 227.30 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclopentyl(propanoyl)amino]propanoate is sourced from PubChem (CID 48865277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).