(2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid

C17H25N3O4 — CID 119364531

IUPAC(2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cccc(NC(=O)NC(C)C)c1)C(=O)O
InChIInChI=1S/C17H25N3O4/c1-10(2)8-14(16(22)23)20-15(21)12-6-5-7-13(9-12)19-17(24)18-11(3)4/h5-7,9-11,14H,8H2,1-4H3,(H,20,21)(H,22,23)(H2,18,19,24)/t14-/m1/s1
InChIKeyIVWZAAQCWSOAOQ-CQSZACIVSA-N
MW335.40 g/mol
LogP2.45
Rot. Bonds7

About (2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid

(2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid (PubChem CID 119364531) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
PubChem CID119364531
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name(2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cccc(NC(=O)NC(C)C)c1)C(=O)O
InChIInChI=1S/C17H25N3O4/c1-10(2)8-14(16(22)23)20-15(21)12-6-5-7-13(9-12)19-17(24)18-11(3)4/h5-7,9-11,14H,8H2,1-4H3,(H,20,21)(H,22,23)(H2,18,19,24)/t14-/m1/s1
InChIKeyIVWZAAQCWSOAOQ-CQSZACIVSA-N
XLogP2.45
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid with MolForge

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Related Compounds

2-[(3-acetamidophenyl)carbamoylamino]-4-methylpentanoic acid
CID 4909714
(2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid
CID 78975452
(2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid
CID 119363496
3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
CID 119211691
2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid
CID 119254635
(2R)-2-[(3-ethylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 78976235
4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120516103
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid
CID 119188161
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
(2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid
CID 51426594

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid (CID 119364531) is (2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid is CC(C)C[C@@H](NC(=O)c1cccc(NC(=O)NC(C)C)c1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid?
The InChIKey is IVWZAAQCWSOAOQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-10(2)8-14(16(22)23)20-15(21)12-6-5-7-13(9-12)19-17(24)18-11(3)4/h5-7,9-11,14H,8H2,1-4H3,(H,20,21)(H,22,23)(H2,18,19,24)/t14-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid?
(2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid has a molecular weight of 335.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 119364531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).