(2R)-3,3-dimethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid

C14H28N2O3 — CID 113353206

IUPAC(2R)-3,3-dimethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid
SMILESCC(C)CC(C)N(C)C(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-9(2)8-10(3)16(7)13(19)15-11(12(17)18)14(4,5)6/h9-11H,8H2,1-7H3,(H,15,19)(H,17,18)/t10?,11-/m0/s1
InChIKeyAHPYVXJSTQDBPC-DTIOYNMSSA-N
MW272.39 g/mol
LogP2.56
Rot. Bonds5

About (2R)-3,3-dimethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid

(2R)-3,3-dimethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid (PubChem CID 113353206) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid
PubChem CID113353206
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name(2R)-3,3-dimethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid
SMILESCC(C)CC(C)N(C)C(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-9(2)8-10(3)16(7)13(19)15-11(12(17)18)14(4,5)6/h9-11H,8H2,1-7H3,(H,15,19)(H,17,18)/t10?,11-/m0/s1
InChIKeyAHPYVXJSTQDBPC-DTIOYNMSSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-3,3-dimethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid with MolForge

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Related Compounds

2-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 63228224
(2R)-3,3-dimethyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 103927599
(2R)-3-methyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid
CID 79009702
(2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid
CID 107566606
(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61203080
(2S)-3,3-dimethyl-2-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61196070
3,3-dimethyl-2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 79488507
(2S)-4-amino-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 55231129
4-amino-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 55000358
(2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 46737712
(2R)-2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 103927908
(2S)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 104864085

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid (CID 113353206) is (2R)-3,3-dimethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid is CC(C)CC(C)N(C)C(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-3,3-dimethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid?
The InChIKey is AHPYVXJSTQDBPC-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-9(2)8-10(3)16(7)13(19)15-11(12(17)18)14(4,5)6/h9-11H,8H2,1-7H3,(H,15,19)(H,17,18)/t10?,11-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid?
(2R)-3,3-dimethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid has a molecular weight of 272.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 113353206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).