3,3-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]butanoic acid

C13H24N2O3 — CID 64689246

IUPAC3,3-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]butanoic acid
SMILESCC1(NC(=O)NC(C(=O)O)C(C)(C)C)CCCC1
InChIInChI=1S/C13H24N2O3/c1-12(2,3)9(10(16)17)14-11(18)15-13(4)7-5-6-8-13/h9H,5-8H2,1-4H3,(H,16,17)(H2,14,15,18)
InChIKeyRYYIPMKSTHJYOH-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.12
Rot. Bonds3

About 3,3-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]butanoic acid

3,3-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]butanoic acid (PubChem CID 64689246) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3,3-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]butanoic acid
PubChem CID64689246
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3,3-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]butanoic acid
SMILESCC1(NC(=O)NC(C(=O)O)C(C)(C)C)CCCC1
InChIInChI=1S/C13H24N2O3/c1-12(2,3)9(10(16)17)14-11(18)15-13(4)7-5-6-8-13/h9H,5-8H2,1-4H3,(H,16,17)(H2,14,15,18)
InChIKeyRYYIPMKSTHJYOH-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoic acid
CID 103927907
(2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid
CID 80757359
(2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid
CID 104865758
(2R)-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 104985531
(2S)-2-[(1-methylcyclohexyl)carbamoylamino]-2-phenylacetic acid
CID 104899019
4,4-dimethyl-2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pentanoic acid
CID 107474278
2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 62416183
2-(1-cyclohexylethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 62405639
2-(8-azaspiro[4.5]decane-8-carbonylamino)-3,3-dimethylbutanoic acid
CID 63162376
(2S)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3,3-dimethylbutanoic acid
CID 113309472
carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+)
CID 166560279
(2R)-2-[(1-methylcyclohexyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 104910190

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]butanoic acid?
The IUPAC name of 3,3-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]butanoic acid (CID 64689246) is 3,3-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]butanoic acid?
The canonical SMILES for 3,3-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]butanoic acid is CC1(NC(=O)NC(C(=O)O)C(C)(C)C)CCCC1.
What is the InChIKey of 3,3-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]butanoic acid?
The InChIKey is RYYIPMKSTHJYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(2,3)9(10(16)17)14-11(18)15-13(4)7-5-6-8-13/h9H,5-8H2,1-4H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3,3-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]butanoic acid?
3,3-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 64689246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).