2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-4-methylpentanoic acid

C17H24N2O4 — CID 119188321

IUPAC2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-4-methylpentanoic acid
SMILESCCN(C)C(=O)c1cccc(C(=O)NC(CC(C)C)C(=O)O)c1
InChIInChI=1S/C17H24N2O4/c1-5-19(4)16(21)13-8-6-7-12(10-13)15(20)18-14(17(22)23)9-11(2)3/h6-8,10-11,14H,5,9H2,1-4H3,(H,18,20)(H,22,23)
InChIKeyRIKUCTYSYAUNCJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.01
Rot. Bonds7

About 2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-4-methylpentanoic acid

2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-4-methylpentanoic acid (PubChem CID 119188321) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-4-methylpentanoic acid
PubChem CID119188321
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-4-methylpentanoic acid
SMILESCCN(C)C(=O)c1cccc(C(=O)NC(CC(C)C)C(=O)O)c1
InChIInChI=1S/C17H24N2O4/c1-5-19(4)16(21)13-8-6-7-12(10-13)15(20)18-14(17(22)23)9-11(2)3/h6-8,10-11,14H,5,9H2,1-4H3,(H,18,20)(H,22,23)
InChIKeyRIKUCTYSYAUNCJ-UHFFFAOYSA-N
XLogP2.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid
CID 78975452
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-3-methylpentanoic acid
CID 119211823
3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119218879
(2S)-2-[[3-(dimethylcarbamoyl)benzoyl]amino]hexanoic acid
CID 120614981
(2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 78975640
(2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
CID 119364531
(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 119361740
(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid
CID 119364336
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid
CID 61155509
(2S)-2-[[4-[2-(diethylamino)ethylcarbamoyl]benzoyl]amino]-4-methylpentanoic acid
CID 11523815
(2R)-2-[(3,4-difluorobenzoyl)amino]-4-methylpentanoic acid
CID 42256010

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-4-methylpentanoic acid (CID 119188321) is 2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-4-methylpentanoic acid is CCN(C)C(=O)c1cccc(C(=O)NC(CC(C)C)C(=O)O)c1.
What is the InChIKey of 2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-4-methylpentanoic acid?
The InChIKey is RIKUCTYSYAUNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-5-19(4)16(21)13-8-6-7-12(10-13)15(20)18-14(17(22)23)9-11(2)3/h6-8,10-11,14H,5,9H2,1-4H3,(H,18,20)(H,22,23).
What are the key properties of 2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-4-methylpentanoic acid?
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-4-methylpentanoic acid has a molecular weight of 320.39 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119188321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).