(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid

C12H21NO3 — CID 93262756

IUPAC(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid
SMILESC[C@@H](CC(=O)O)NC(=O)CCC1CCCC1
InChIInChI=1S/C12H21NO3/c1-9(8-12(15)16)13-11(14)7-6-10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyOHIMNZRAWFDHET-VIFPVBQESA-N
MW227.30 g/mol
LogP1.94
Rot. Bonds6

About (3S)-3-(3-cyclopentylpropanoylamino)butanoic acid

(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid (PubChem CID 93262756) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (3S)-3-(3-cyclopentylpropanoylamino)butanoic acid.

Molecular Properties

Compound Name(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid
PubChem CID93262756
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid
SMILESC[C@@H](CC(=O)O)NC(=O)CCC1CCCC1
InChIInChI=1S/C12H21NO3/c1-9(8-12(15)16)13-11(14)7-6-10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyOHIMNZRAWFDHET-VIFPVBQESA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-cyclobutylpropanoylamino)butanoic acid
CID 119347962
3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418810
N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide
CID 114316586
3-cyclopentyl-N-pent-4-yn-2-ylpropanamide
CID 115662074
N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide
CID 114305958
(2S)-2-(3-cyclobutylpropanoylamino)-3-methylbutanoic acid
CID 119360684
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoic acid
CID 10539933
4-amino-N-(4-cyclohexylbutan-2-yl)pentanamide
CID 120562906
N-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide
CID 63930209
(2S)-2-(3-cyclohexylpropanoylamino)-3,3-dimethylbutanoic acid
CID 61143658
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
3-(cyclopentylmethylamino)butanoic acid
CID 43536958

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-cyclopentylpropanoylamino)butanoic acid?
The IUPAC name of (3S)-3-(3-cyclopentylpropanoylamino)butanoic acid (CID 93262756) is (3S)-3-(3-cyclopentylpropanoylamino)butanoic acid.
What is the SMILES notation for (3S)-3-(3-cyclopentylpropanoylamino)butanoic acid?
The canonical SMILES for (3S)-3-(3-cyclopentylpropanoylamino)butanoic acid is C[C@@H](CC(=O)O)NC(=O)CCC1CCCC1.
What is the InChIKey of (3S)-3-(3-cyclopentylpropanoylamino)butanoic acid?
The InChIKey is OHIMNZRAWFDHET-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(8-12(15)16)13-11(14)7-6-10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1.
What are the key properties of (3S)-3-(3-cyclopentylpropanoylamino)butanoic acid?
(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-cyclopentylpropanoylamino)butanoic acid is sourced from PubChem (CID 93262756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).