(2R)-4-amino-4-oxo-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid

C14H19N3O4 — CID 107825672

IUPAC(2R)-4-amino-4-oxo-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid
SMILESCC(C)c1ccccc1NC(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C14H19N3O4/c1-8(2)9-5-3-4-6-10(9)16-14(21)17-11(13(19)20)7-12(15)18/h3-6,8,11H,7H2,1-2H3,(H2,15,18)(H,19,20)(H2,16,17,21)/t11-/m1/s1
InChIKeyUVTAVRADECSCHP-LLVKDONJSA-N
MW293.32 g/mol
LogP1.26
Rot. Bonds6

About (2R)-4-amino-4-oxo-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid

(2R)-4-amino-4-oxo-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid (PubChem CID 107825672) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2R)-4-amino-4-oxo-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-4-oxo-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid
PubChem CID107825672
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name(2R)-4-amino-4-oxo-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid
SMILESCC(C)c1ccccc1NC(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C14H19N3O4/c1-8(2)9-5-3-4-6-10(9)16-14(21)17-11(13(19)20)7-12(15)18/h3-6,8,11H,7H2,1-2H3,(H2,15,18)(H,19,20)(H2,16,17,21)/t11-/m1/s1
InChIKeyUVTAVRADECSCHP-LLVKDONJSA-N
XLogP1.26
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-[(2-aminophenyl)carbamoylamino]-4-oxobutanoic acid
CID 61404827
(2S)-4-amino-2-[(2-iodophenyl)carbamoylamino]-4-oxobutanoic acid
CID 63714892
(2R)-4-amino-2-[(2-iodophenyl)carbamoylamino]-4-oxobutanoic acid
CID 107825787
4-amino-2-[(2-methoxyphenyl)carbamoylamino]-4-oxobutanoic acid
CID 16776649
4-amino-4-oxo-2-(phenylcarbamoylamino)butanoic acid
CID 16772019
(2R)-4-amino-2-[(2-bromo-3-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 107828557
(2S)-3-methyl-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 28508833
(2R)-4-amino-2-[1-(2-fluorophenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 107826890
(2S)-4-amino-2-[1-(2-fluorophenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 63718664
(2R)-4-amino-2-[(2,6-dimethylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 107825937
(2S)-3,3-dimethyl-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 61182098
4-amino-2-[(2,6-dibromophenyl)carbamoylamino]-4-oxobutanoic acid
CID 107601699

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-4-oxo-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid?
The IUPAC name of (2R)-4-amino-4-oxo-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid (CID 107825672) is (2R)-4-amino-4-oxo-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-4-amino-4-oxo-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid?
The canonical SMILES for (2R)-4-amino-4-oxo-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid is CC(C)c1ccccc1NC(=O)N[C@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2R)-4-amino-4-oxo-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid?
The InChIKey is UVTAVRADECSCHP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8(2)9-5-3-4-6-10(9)16-14(21)17-11(13(19)20)7-12(15)18/h3-6,8,11H,7H2,1-2H3,(H2,15,18)(H,19,20)(H2,16,17,21)/t11-/m1/s1.
What are the key properties of (2R)-4-amino-4-oxo-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid?
(2R)-4-amino-4-oxo-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-4-oxo-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 107825672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).