2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid

C10H13N3O4 — CID 79325586

IUPAC2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESNC(=O)CCNC(=O)c1cccn1CC(=O)O
InChIInChI=1S/C10H13N3O4/c11-8(14)3-4-12-10(17)7-2-1-5-13(7)6-9(15)16/h1-2,5H,3-4,6H2,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyKBKVWSMOQQRIRL-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.82
Rot. Bonds6

About 2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid

2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 79325586) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid
PubChem CID79325586
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESNC(=O)CCNC(=O)c1cccn1CC(=O)O
InChIInChI=1S/C10H13N3O4/c11-8(14)3-4-12-10(17)7-2-1-5-13(7)6-9(15)16/h1-2,5H,3-4,6H2,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyKBKVWSMOQQRIRL-UHFFFAOYSA-N
XLogP-0.82
TPSA114.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(3-amino-3-oxopropyl)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-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 79322277
2-[2-(2-imidazol-1-ylethylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79324658
2-[2-(3-ethylsulfanylpropylcarbamoyl)pyrrol-1-yl]acetic acid
CID 114248465
2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 79324939
2-[2-[2-(ethylsulfamoyl)ethylcarbamoyl]pyrrol-1-yl]acetic acid
CID 106341844
1-[2-[(4-amino-4-oxobutyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324897
2-[2-(3-piperazin-1-ylpropylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79321926
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608589
2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79330816
2-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrol-1-yl]acetic acid
CID 80689527
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid (CID 79325586) is 2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid is NC(=O)CCNC(=O)c1cccn1CC(=O)O.
What is the InChIKey of 2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is KBKVWSMOQQRIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c11-8(14)3-4-12-10(17)7-2-1-5-13(7)6-9(15)16/h1-2,5H,3-4,6H2,(H2,11,14)(H,12,17)(H,15,16).
What are the key properties of 2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 239.23 g/mol, XLogP of -0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79325586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).