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

C13H24N2O3 — CID 104937666

IUPAC(2R)-3,3-dimethyl-2-[(3-methylcyclopentyl)carbamoylamino]butanoic acid
SMILESCC1CCC(NC(=O)N[C@@H](C(=O)O)C(C)(C)C)C1
InChIInChI=1S/C13H24N2O3/c1-8-5-6-9(7-8)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
InChIKeyCZQMYQFCPRLVLH-RTBKNWGFSA-N
MW256.35 g/mol
LogP1.97
Rot. Bonds3

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

(2R)-3,3-dimethyl-2-[(3-methylcyclopentyl)carbamoylamino]butanoic acid (PubChem CID 104937666) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-[(3-methylcyclopentyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-[(3-methylcyclopentyl)carbamoylamino]butanoic acid
PubChem CID104937666
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2R)-3,3-dimethyl-2-[(3-methylcyclopentyl)carbamoylamino]butanoic acid
SMILESCC1CCC(NC(=O)N[C@@H](C(=O)O)C(C)(C)C)C1
InChIInChI=1S/C13H24N2O3/c1-8-5-6-9(7-8)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
InChIKeyCZQMYQFCPRLVLH-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-(cycloheptylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 61196717
(2R)-3,3-dimethyl-2-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 113353183
3,3-dimethyl-2-[(3-methylcyclopentyl)carbamoyl]butanoic acid
CID 114550582
(2R)-2-[(3-methoxycyclobutyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 114120347
(2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid
CID 104937677
(2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103928209
(2R)-3,3-dimethyl-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 103928020
1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane
CID 143418948
(2R)-2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid
CID 78972462
2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid
CID 61198953
(2S)-3,3-dimethyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 63661261

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-[(3-methylcyclopentyl)carbamoylamino]butanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-[(3-methylcyclopentyl)carbamoylamino]butanoic acid (CID 104937666) is (2R)-3,3-dimethyl-2-[(3-methylcyclopentyl)carbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-[(3-methylcyclopentyl)carbamoylamino]butanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-[(3-methylcyclopentyl)carbamoylamino]butanoic acid is CC1CCC(NC(=O)N[C@@H](C(=O)O)C(C)(C)C)C1.
What is the InChIKey of (2R)-3,3-dimethyl-2-[(3-methylcyclopentyl)carbamoylamino]butanoic acid?
The InChIKey is CZQMYQFCPRLVLH-RTBKNWGFSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-8-5-6-9(7-8)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-[(3-methylcyclopentyl)carbamoylamino]butanoic acid?
(2R)-3,3-dimethyl-2-[(3-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-[(3-methylcyclopentyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 104937666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).