2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid

C12H22N2O3 — CID 64812508

IUPAC2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC[C@H](C)[C@H](N)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-7(2)10(13)11(15)14-9-6-4-5-8(9)12(16)17/h7-10H,3-6,13H2,1-2H3,(H,14,15)(H,16,17)/t7-,8?,9?,10-/m0/s1
InChIKeyNBRWVZVQTIJOOV-NFTFJBJSSA-N
MW242.32 g/mol
LogP0.73
Rot. Bonds5

About 2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid

2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64812508) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64812508
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC[C@H](C)[C@H](N)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-7(2)10(13)11(15)14-9-6-4-5-8(9)12(16)17/h7-10H,3-6,13H2,1-2H3,(H,14,15)(H,16,17)/t7-,8?,9?,10-/m0/s1
InChIKeyNBRWVZVQTIJOOV-NFTFJBJSSA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-(2-methylcyclopentyl)pentanamide
CID 63281460
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 63044400
(2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide
CID 107221962
(2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide
CID 61174579
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
CID 106361554
(2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylpentanamide
CID 64907204
2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102629465
2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 103869669
2-[(2-amino-3,3-dimethylbutanoyl)amino]cyclopentane-1-carboxylic acid
CID 77053196
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide
CID 76978522
2-(2-cyclopropylpropanoylamino)cyclopentane-1-carboxylic acid
CID 83146564

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid (CID 64812508) is 2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid is CC[C@H](C)[C@H](N)C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is NBRWVZVQTIJOOV-NFTFJBJSSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-7(2)10(13)11(15)14-9-6-4-5-8(9)12(16)17/h7-10H,3-6,13H2,1-2H3,(H,14,15)(H,16,17)/t7-,8?,9?,10-/m0/s1.
What are the key properties of 2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid?
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64812508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).