(2R)-3,3-dimethyl-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid

C13H24N2O3 — CID 103928020

IUPAC(2R)-3,3-dimethyl-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
SMILESCC1CCCC1NC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-8-6-5-7-9(8)14-12(18)15-10(11(16)17)13(2,3)4/h8-10H,5-7H2,1-4H3,(H,16,17)(H2,14,15,18)/t8?,9?,10-/m0/s1
InChIKeyIGOMIZANDSOSBD-RTBKNWGFSA-N
MW256.35 g/mol
LogP1.97
Rot. Bonds3

About (2R)-3,3-dimethyl-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid

(2R)-3,3-dimethyl-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid (PubChem CID 103928020) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
PubChem CID103928020
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2R)-3,3-dimethyl-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
SMILESCC1CCCC1NC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-8-6-5-7-9(8)14-12(18)15-10(11(16)17)13(2,3)4/h8-10H,5-7H2,1-4H3,(H,16,17)(H2,14,15,18)/t8?,9?,10-/m0/s1
InChIKeyIGOMIZANDSOSBD-RTBKNWGFSA-N
XLogP1.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 62416183
(2S)-2-[(2-aminocyclohexyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61408334
(2S)-3-methyl-2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]butanoic acid
CID 942050
(2S)-2-(cycloheptylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 61196717
1-(2-methylcycloheptyl)-3-propan-2-ylurea
CID 115660988
(2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 107566972
(2S)-4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 107827757
4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 55172631
4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 55173209
(2S)-2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 83020650
(2R)-3,3-dimethyl-2-[(3-methylcyclopentyl)carbamoylamino]butanoic acid
CID 104937666
(2R)-2-(1-azabicyclo[2.2.2]octan-3-ylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103927540

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid (CID 103928020) is (2R)-3,3-dimethyl-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid is CC1CCCC1NC(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-3,3-dimethyl-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid?
The InChIKey is IGOMIZANDSOSBD-RTBKNWGFSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-8-6-5-7-9(8)14-12(18)15-10(11(16)17)13(2,3)4/h8-10H,5-7H2,1-4H3,(H,16,17)(H2,14,15,18)/t8?,9?,10-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid?
(2R)-3,3-dimethyl-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 103928020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).