2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid

C10H13N3O3 — CID 79139200

IUPAC2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid
SMILESO=C(Cc1ccn[nH]1)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H13N3O3/c14-8(5-7-3-4-11-13-7)12-9(10(15)16)6-1-2-6/h3-4,6,9H,1-2,5H2,(H,11,13)(H,12,14)(H,15,16)
InChIKeyKWNBNYBUUHVNRZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.07
Rot. Bonds5

About 2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid

2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid (PubChem CID 79139200) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid
PubChem CID79139200
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid
SMILESO=C(Cc1ccn[nH]1)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H13N3O3/c14-8(5-7-3-4-11-13-7)12-9(10(15)16)6-1-2-6/h3-4,6,9H,1-2,5H2,(H,11,13)(H,12,14)(H,15,16)
InChIKeyKWNBNYBUUHVNRZ-UHFFFAOYSA-N
XLogP-0.07
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid (CID 79139200) is 2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid is O=C(Cc1ccn[nH]1)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid?
The InChIKey is KWNBNYBUUHVNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-8(5-7-3-4-11-13-7)12-9(10(15)16)6-1-2-6/h3-4,6,9H,1-2,5H2,(H,11,13)(H,12,14)(H,15,16).
What are the key properties of 2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid?
2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid has a molecular weight of 223.23 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 79139200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).