(2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid

C14H18N2O4 — CID 78975452

IUPAC(2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cccc(C(N)=O)c1)C(=O)O
InChIInChI=1S/C14H18N2O4/c1-8(2)6-11(14(19)20)16-13(18)10-5-3-4-9(7-10)12(15)17/h3-5,7-8,11H,6H2,1-2H3,(H2,15,17)(H,16,18)(H,19,20)/t11-/m1/s1
InChIKeyDEJMUKDWDMPSII-LLVKDONJSA-N
MW278.31 g/mol
LogP1.01
Rot. Bonds6

About (2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid

(2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid (PubChem CID 78975452) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid
PubChem CID78975452
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cccc(C(N)=O)c1)C(=O)O
InChIInChI=1S/C14H18N2O4/c1-8(2)6-11(14(19)20)16-13(18)10-5-3-4-9(7-10)12(15)17/h3-5,7-8,11H,6H2,1-2H3,(H2,15,17)(H,16,18)(H,19,20)/t11-/m1/s1
InChIKeyDEJMUKDWDMPSII-LLVKDONJSA-N
XLogP1.01
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
CID 119364531
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-4-methylpentanoic acid
CID 119188321
(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 119361740
3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119587745
2-[(3-carbamoylbenzoyl)amino]-3-methylbutanoic acid
CID 60859011
2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid
CID 60858023
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
(2R)-2-[(4-aminobenzoyl)amino]-4-methylpentanoic acid
CID 78975427
(2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid
CID 119363496
3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide
CID 30827773
(2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 78975640
4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120516103

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid (CID 78975452) is (2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)c1cccc(C(N)=O)c1)C(=O)O.
What is the InChIKey of (2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is DEJMUKDWDMPSII-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8(2)6-11(14(19)20)16-13(18)10-5-3-4-9(7-10)12(15)17/h3-5,7-8,11H,6H2,1-2H3,(H2,15,17)(H,16,18)(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid?
(2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 78975452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).