2-[(2-amino-2-oxoethyl)-[(1-methylpyrazol-3-yl)carbamoyl]amino]acetic acid

C9H13N5O4 — CID 107438074

IUPAC2-[(2-amino-2-oxoethyl)-[(1-methylpyrazol-3-yl)carbamoyl]amino]acetic acid
SMILESCn1ccc(NC(=O)N(CC(N)=O)CC(=O)O)n1
InChIInChI=1S/C9H13N5O4/c1-13-3-2-7(12-13)11-9(18)14(4-6(10)15)5-8(16)17/h2-3H,4-5H2,1H3,(H2,10,15)(H,16,17)(H,11,12,18)
InChIKeyPLBCGXFXENPFDD-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.18
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-[(1-methylpyrazol-3-yl)carbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(1-methylpyrazol-3-yl)carbamoyl]amino]acetic acid (PubChem CID 107438074) has the molecular formula C9H13N5O4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(1-methylpyrazol-3-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(1-methylpyrazol-3-yl)carbamoyl]amino]acetic acid
PubChem CID107438074
Molecular FormulaC9H13N5O4
Molecular Weight255.23 g/mol
Exact Mass255.10
IUPAC Name2-[(2-amino-2-oxoethyl)-[(1-methylpyrazol-3-yl)carbamoyl]amino]acetic acid
SMILESCn1ccc(NC(=O)N(CC(N)=O)CC(=O)O)n1
InChIInChI=1S/C9H13N5O4/c1-13-3-2-7(12-13)11-9(18)14(4-6(10)15)5-8(16)17/h2-3H,4-5H2,1H3,(H2,10,15)(H,16,17)(H,11,12,18)
InChIKeyPLBCGXFXENPFDD-UHFFFAOYSA-N
XLogP-1.18
TPSA130.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-2-oxoethyl)-[(1-methylpyrazol-3-yl)carbamoyl]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

2-[(1-methylpyrazol-3-yl)carbamoyl-propylamino]acetic acid
CID 61203959
2-[4-hydroxy-N-[(1-methylpyrazol-3-yl)carbamoyl]anilino]acetic acid
CID 61203767
2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 107437614
2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid
CID 55007522
4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
CID 61205269
(2S)-4-amino-2-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 63717738
2-[carboxymethyl-[(1,3-dimethylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 102806525
2-[(2-amino-2-oxoethyl)-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid
CID 107439338
2-[(2-amino-2-oxoethyl)-[(4-ethoxyphenyl)carbamoyl]amino]acetic acid
CID 107437327
2-[(2-amino-2-oxoethyl)-[(3-chloro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 107437366
methyl N-(1-methylpyrazol-3-yl)carbamate
CID 12774707
(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide
CID 78971987

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(1-methylpyrazol-3-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(1-methylpyrazol-3-yl)carbamoyl]amino]acetic acid (CID 107438074) is 2-[(2-amino-2-oxoethyl)-[(1-methylpyrazol-3-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(1-methylpyrazol-3-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(1-methylpyrazol-3-yl)carbamoyl]amino]acetic acid is Cn1ccc(NC(=O)N(CC(N)=O)CC(=O)O)n1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(1-methylpyrazol-3-yl)carbamoyl]amino]acetic acid?
The InChIKey is PLBCGXFXENPFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O4/c1-13-3-2-7(12-13)11-9(18)14(4-6(10)15)5-8(16)17/h2-3H,4-5H2,1H3,(H2,10,15)(H,16,17)(H,11,12,18).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(1-methylpyrazol-3-yl)carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(1-methylpyrazol-3-yl)carbamoyl]amino]acetic acid has a molecular weight of 255.23 g/mol, XLogP of -1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(1-methylpyrazol-3-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107438074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).