(2R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic acid

C15H22N2O3 — CID 51553917

IUPAC(2R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic acid
SMILESCC(C)c1ccc(NC(=O)N[C@@H](C(=O)O)C(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-9(2)11-5-7-12(8-6-11)16-15(20)17-13(10(3)4)14(18)19/h5-10,13H,1-4H3,(H,18,19)(H2,16,17,20)/t13-/m1/s1
InChIKeyMKOBPPCOONTWIM-CYBMUJFWSA-N
MW278.35 g/mol
LogP3.04
Rot. Bonds5

About (2R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic acid

(2R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic acid (PubChem CID 51553917) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic acid
PubChem CID51553917
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic acid
SMILESCC(C)c1ccc(NC(=O)N[C@@H](C(=O)O)C(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-9(2)11-5-7-12(8-6-11)16-15(20)17-13(10(3)4)14(18)19/h5-10,13H,1-4H3,(H,18,19)(H2,16,17,20)/t13-/m1/s1
InChIKeyMKOBPPCOONTWIM-CYBMUJFWSA-N
XLogP3.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 61196314
(2S)-3-methyl-2-[(4-methylsulfanylphenyl)carbamoylamino]butanoic acid
CID 61183128
2-[(4-carbamoylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 61185994
(2S)-3-methyl-2-[(4-propylphenyl)carbamoylamino]butanoic acid
CID 61197691
(2S)-2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 941784
2-[(4-acetamidophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61181993
methyl (2S,3R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanoate
CID 945899
methyl (2R,3S)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanoate
CID 7678082
(2R)-2-[(3,5-difluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 79009860
methyl 2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-3-methylbutanoate
CID 61340214
2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 62669376
5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid
CID 82847921

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic acid (CID 51553917) is (2R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic acid is CC(C)c1ccc(NC(=O)N[C@@H](C(=O)O)C(C)C)cc1.
What is the InChIKey of (2R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic acid?
The InChIKey is MKOBPPCOONTWIM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9(2)11-5-7-12(8-6-11)16-15(20)17-13(10(3)4)14(18)19/h5-10,13H,1-4H3,(H,18,19)(H2,16,17,20)/t13-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic acid?
(2R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic acid has a molecular weight of 278.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 51553917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).