(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid

C12H21NO3 — CID 103791111

IUPAC(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
SMILESCC(CC1CCCC1)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C12H21NO3/c1-8(7-10-5-3-4-6-10)11(14)13-9(2)12(15)16/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)/t8?,9-/m1/s1
InChIKeyYHVQMRJDABGRKI-YGPZHTELSA-N
MW227.30 g/mol
LogP1.79
Rot. Bonds5

About (2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid

(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid (PubChem CID 103791111) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
PubChem CID103791111
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
SMILESCC(CC1CCCC1)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C12H21NO3/c1-8(7-10-5-3-4-6-10)11(14)13-9(2)12(15)16/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)/t8?,9-/m1/s1
InChIKeyYHVQMRJDABGRKI-YGPZHTELSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid
CID 119225381
(2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid
CID 119244683
2-[[(2S,3R)-3-acetamido-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoic acid
CID 20660241
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-cyclohexylpropanoic acid
CID 10635767
2-(2-methylbutanoylamino)propanoic acid
CID 14758658
N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide
CID 119407411
2-(2-cyclopropylpropanoylamino)propanoic acid
CID 81456146
(2S)-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 103791005
(2S)-3-cyclohexyl-2-(propylamino)propanoic acid
CID 175818712
(2S)-2-[(3-cyclohexyl-2-methylpropyl)amino]propanoic acid
CID 122038991
2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid
CID 119198955

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid (CID 103791111) is (2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid is CC(CC1CCCC1)C(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid?
The InChIKey is YHVQMRJDABGRKI-YGPZHTELSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8(7-10-5-3-4-6-10)11(14)13-9(2)12(15)16/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid?
(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 103791111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).