2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid

C8H12N4O3 — CID 61461230

IUPAC2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
SMILESO=C(O)CNC(=O)NCCn1cccn1
InChIInChI=1S/C8H12N4O3/c13-7(14)6-10-8(15)9-3-5-12-4-1-2-11-12/h1-2,4H,3,5-6H2,(H,13,14)(H2,9,10,15)
InChIKeyRWRCCBCUTGNQSF-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.73
Rot. Bonds5

About 2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid

2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid (PubChem CID 61461230) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
PubChem CID61461230
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
SMILESO=C(O)CNC(=O)NCCn1cccn1
InChIInChI=1S/C8H12N4O3/c13-7(14)6-10-8(15)9-3-5-12-4-1-2-11-12/h1-2,4H,3,5-6H2,(H,13,14)(H2,9,10,15)
InChIKeyRWRCCBCUTGNQSF-UHFFFAOYSA-N
XLogP-0.73
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
CID 61460027
1-phenyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747699
2-hydroxy-2-methyl-3-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid
CID 66176150
2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide
CID 61461806
2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 62535953
2,3-dimethyl-4-oxo-4-(2-pyrazol-1-ylethylcarbamoylamino)but-2-enoic acid
CID 76992391
1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61461432
(2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid
CID 107826754
5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090461
2-[3-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 65345773
1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea
CID 115629319

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid?
The IUPAC name of 2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid (CID 61461230) is 2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid?
The canonical SMILES for 2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid is O=C(O)CNC(=O)NCCn1cccn1.
What is the InChIKey of 2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid?
The InChIKey is RWRCCBCUTGNQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c13-7(14)6-10-8(15)9-3-5-12-4-1-2-11-12/h1-2,4H,3,5-6H2,(H,13,14)(H2,9,10,15).
What are the key properties of 2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid?
2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid has a molecular weight of 212.21 g/mol, XLogP of -0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid is sourced from PubChem (CID 61461230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).