2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid

C12H17N3O4 — CID 79324939

IUPAC2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid
SMILESCCCNC(=O)CNC(=O)c1cccn1CC(=O)O
InChIInChI=1S/C12H17N3O4/c1-2-5-13-10(16)7-14-12(19)9-4-3-6-15(9)8-11(17)18/h3-4,6H,2,5,7-8H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyKXFMDBXOOVDOCI-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.17
Rot. Bonds7

About 2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid

2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 79324939) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid
PubChem CID79324939
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid
SMILESCCCNC(=O)CNC(=O)c1cccn1CC(=O)O
InChIInChI=1S/C12H17N3O4/c1-2-5-13-10(16)7-14-12(19)9-4-3-6-15(9)8-11(17)18/h3-4,6H,2,5,7-8H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyKXFMDBXOOVDOCI-UHFFFAOYSA-N
XLogP-0.17
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]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

2-[2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 114134247
2-[2-(3-ethylsulfanylpropylcarbamoyl)pyrrol-1-yl]acetic acid
CID 114248465
2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79330816
2-[2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 79322277
2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325586
2-[2-[2-(ethylsulfamoyl)ethylcarbamoyl]pyrrol-1-yl]acetic acid
CID 106341844
2-[2-[(1-ethylcyclobutyl)methylcarbamoyl]pyrrol-1-yl]acetic acid
CID 114109249
2-[2-(2-methoxypropylcarbamoyl)pyrrol-1-yl]acetic acid
CID 102700126
2-[2-[(2-methoxy-2-methylpropyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 104764740
2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325005
2-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrol-1-yl]acetic acid
CID 80689527
1-[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]pyrrole-2-carboxylic acid
CID 79324616

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid (CID 79324939) is 2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid is CCCNC(=O)CNC(=O)c1cccn1CC(=O)O.
What is the InChIKey of 2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is KXFMDBXOOVDOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-2-5-13-10(16)7-14-12(19)9-4-3-6-15(9)8-11(17)18/h3-4,6H,2,5,7-8H2,1H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 267.28 g/mol, XLogP of -0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79324939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).