2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid

C16H21N3O4 — CID 119194825

IUPAC2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid
SMILESCC(C)NC(=O)Nc1cccc(C(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C16H21N3O4/c1-10(2)17-16(23)18-12-5-3-4-11(8-12)15(22)19(9-14(20)21)13-6-7-13/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,20,21)(H2,17,18,23)
InChIKeyDTVPRIUDFUQOOK-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.91
Rot. Bonds6

About 2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid

2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid (PubChem CID 119194825) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid
PubChem CID119194825
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid
SMILESCC(C)NC(=O)Nc1cccc(C(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C16H21N3O4/c1-10(2)17-16(23)18-12-5-3-4-11(8-12)15(22)19(9-14(20)21)13-6-7-13/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,20,21)(H2,17,18,23)
InChIKeyDTVPRIUDFUQOOK-UHFFFAOYSA-N
XLogP1.91
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyanomethyl)-N-cyclopropyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 51097004
N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 47829854
cyclopropylmethyl 3-(propan-2-ylcarbamoylamino)benzoate
CID 47348411
N-benzyl-N-butan-2-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 56536452
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 38035453
N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 94800494
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 86833634
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46437560
N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 95324326

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid (CID 119194825) is 2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid is CC(C)NC(=O)Nc1cccc(C(=O)N(CC(=O)O)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid?
The InChIKey is DTVPRIUDFUQOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-10(2)17-16(23)18-12-5-3-4-11(8-12)15(22)19(9-14(20)21)13-6-7-13/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,20,21)(H2,17,18,23).
What are the key properties of 2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid?
2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid has a molecular weight of 319.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid is sourced from PubChem (CID 119194825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).