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

C12H22N2O3 — CID 77053196

IUPAC2-[(2-amino-3,3-dimethylbutanoyl)amino]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)C(N)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-12(2,3)9(13)10(15)14-8-6-4-5-7(8)11(16)17/h7-9H,4-6,13H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyDJESCRRCVJSGKQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.73
Rot. Bonds3

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

2-[(2-amino-3,3-dimethylbutanoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 77053196) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(2-amino-3,3-dimethylbutanoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-amino-3,3-dimethylbutanoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID77053196
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(2-amino-3,3-dimethylbutanoyl)amino]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)C(N)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-12(2,3)9(13)10(15)14-8-6-4-5-7(8)11(16)17/h7-9H,4-6,13H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyDJESCRRCVJSGKQ-UHFFFAOYSA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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

2-amino-N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 68925169
(2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 61178090
2-amino-N-(2-methoxycyclopentyl)-3,3-dimethylbutanamide
CID 76934435
(2R)-2-amino-N-(2,3-dimethylcyclopentyl)-3,3-dimethylbutanamide
CID 103930053
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 64812508
2-(2-cyclopropylpropanoylamino)cyclopentane-1-carboxylic acid
CID 83146564
(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride
CID 66951838
2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 103869669
(2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride
CID 119779394
2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 64815182
2-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812498
2-amino-N-(3-ethyl-2-methylcyclopentyl)-3,3-dimethylbutanamide
CID 77050507

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3,3-dimethylbutanoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-amino-3,3-dimethylbutanoyl)amino]cyclopentane-1-carboxylic acid (CID 77053196) is 2-[(2-amino-3,3-dimethylbutanoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-amino-3,3-dimethylbutanoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-amino-3,3-dimethylbutanoyl)amino]cyclopentane-1-carboxylic acid is CC(C)(C)C(N)C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[(2-amino-3,3-dimethylbutanoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is DJESCRRCVJSGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)9(13)10(15)14-8-6-4-5-7(8)11(16)17/h7-9H,4-6,13H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-amino-3,3-dimethylbutanoyl)amino]cyclopentane-1-carboxylic acid?
2-[(2-amino-3,3-dimethylbutanoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3,3-dimethylbutanoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 77053196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).