methyl 3-(3-cyclopentylpropanoylamino)propanoate

C12H21NO3 — CID 51072612

IUPACmethyl 3-(3-cyclopentylpropanoylamino)propanoate
SMILESCOC(=O)CCNC(=O)CCC1CCCC1
InChIInChI=1S/C12H21NO3/c1-16-12(15)8-9-13-11(14)7-6-10-4-2-3-5-10/h10H,2-9H2,1H3,(H,13,14)
InChIKeyKNYFHVFDHYMYER-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.64
Rot. Bonds6

About methyl 3-(3-cyclopentylpropanoylamino)propanoate

methyl 3-(3-cyclopentylpropanoylamino)propanoate (PubChem CID 51072612) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 3-(3-cyclopentylpropanoylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-cyclopentylpropanoylamino)propanoate
PubChem CID51072612
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 3-(3-cyclopentylpropanoylamino)propanoate
SMILESCOC(=O)CCNC(=O)CCC1CCCC1
InChIInChI=1S/C12H21NO3/c1-16-12(15)8-9-13-11(14)7-6-10-4-2-3-5-10/h10H,2-9H2,1H3,(H,13,14)
InChIKeyKNYFHVFDHYMYER-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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-cyclopentylpropanoylamino)propanoate?
The IUPAC name of methyl 3-(3-cyclopentylpropanoylamino)propanoate (CID 51072612) is methyl 3-(3-cyclopentylpropanoylamino)propanoate.
What is the SMILES notation for methyl 3-(3-cyclopentylpropanoylamino)propanoate?
The canonical SMILES for methyl 3-(3-cyclopentylpropanoylamino)propanoate is COC(=O)CCNC(=O)CCC1CCCC1.
What is the InChIKey of methyl 3-(3-cyclopentylpropanoylamino)propanoate?
The InChIKey is KNYFHVFDHYMYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-16-12(15)8-9-13-11(14)7-6-10-4-2-3-5-10/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of methyl 3-(3-cyclopentylpropanoylamino)propanoate?
methyl 3-(3-cyclopentylpropanoylamino)propanoate 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 3-(3-cyclopentylpropanoylamino)propanoate is sourced from PubChem (CID 51072612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).