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

C14H26N2O3 — CID 103927907

IUPAC(2R)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoic acid
SMILESCC1(NC(=O)N[C@@H](C(=O)O)C(C)(C)C)CCCCC1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)10(11(17)18)15-12(19)16-14(4)8-6-5-7-9-14/h10H,5-9H2,1-4H3,(H,17,18)(H2,15,16,19)/t10-/m0/s1
InChIKeyVYVVFCNTSZZTDJ-JTQLQIEISA-N
MW270.37 g/mol
LogP2.51
Rot. Bonds3

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

(2R)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoic acid (PubChem CID 103927907) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoic acid
PubChem CID103927907
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2R)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoic acid
SMILESCC1(NC(=O)N[C@@H](C(=O)O)C(C)(C)C)CCCCC1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)10(11(17)18)15-12(19)16-14(4)8-6-5-7-9-14/h10H,5-9H2,1-4H3,(H,17,18)(H2,15,16,19)/t10-/m0/s1
InChIKeyVYVVFCNTSZZTDJ-JTQLQIEISA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]butanoic acid
CID 64689246
(2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid
CID 80757359
2-(1-cyclohexylethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 62405639
4,4-dimethyl-2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pentanoic acid
CID 107474278
(2S)-2-[(1-methylcyclohexyl)carbamoylamino]-2-phenylacetic acid
CID 104899019
(2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid
CID 104865758
(2S)-2-(cycloheptylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 61196717
(2R)-2-[(1-methylcyclohexyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 104910190
(2R)-2-[(1-methylcyclohexyl)carbamoylamino]hexanedioic acid
CID 107839454
2-[[2-(1-aminocyclohexyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 64679805
(2R)-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 104985531
2,2-dimethyl-3-[(1-methylcyclohexyl)carbamoylamino]propanoic acid
CID 115428682

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoic acid (CID 103927907) is (2R)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoic acid is CC1(NC(=O)N[C@@H](C(=O)O)C(C)(C)C)CCCCC1.
What is the InChIKey of (2R)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoic acid?
The InChIKey is VYVVFCNTSZZTDJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)10(11(17)18)15-12(19)16-14(4)8-6-5-7-9-14/h10H,5-9H2,1-4H3,(H,17,18)(H2,15,16,19)/t10-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoic acid?
(2R)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.51, 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-[(1-methylcyclohexyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 103927907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).