2-[cyclopropyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid

C10H14N4O3 — CID 54982654

IUPAC2-[cyclopropyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)NCc1cn[nH]c1)C1CC1
InChIInChI=1S/C10H14N4O3/c15-9(16)6-14(8-1-2-8)10(17)11-3-7-4-12-13-5-7/h4-5,8H,1-3,6H2,(H,11,17)(H,12,13)(H,15,16)
InChIKeyNFYHQKZUDQWMST-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.17
Rot. Bonds5

About 2-[cyclopropyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid

2-[cyclopropyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid (PubChem CID 54982654) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[cyclopropyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid
PubChem CID54982654
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2-[cyclopropyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)NCc1cn[nH]c1)C1CC1
InChIInChI=1S/C10H14N4O3/c15-9(16)6-14(8-1-2-8)10(17)11-3-7-4-12-13-5-7/h4-5,8H,1-3,6H2,(H,11,17)(H,12,13)(H,15,16)
InChIKeyNFYHQKZUDQWMST-UHFFFAOYSA-N
XLogP0.17
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid (CID 54982654) is 2-[cyclopropyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid is O=C(O)CN(C(=O)NCc1cn[nH]c1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid?
The InChIKey is NFYHQKZUDQWMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-9(16)6-14(8-1-2-8)10(17)11-3-7-4-12-13-5-7/h4-5,8H,1-3,6H2,(H,11,17)(H,12,13)(H,15,16).
What are the key properties of 2-[cyclopropyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid?
2-[cyclopropyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid has a molecular weight of 238.25 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 54982654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).