2-amino-2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetic acid

C7H11N3O3 — CID 83876501

IUPAC2-amino-2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetic acid
SMILESCCn1[nH]c(C(N)C(=O)O)cc1=O
InChIInChI=1S/C7H11N3O3/c1-2-10-5(11)3-4(9-10)6(8)7(12)13/h3,6,9H,2,8H2,1H3,(H,12,13)
InChIKeyJDNNINKKNGEPQS-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.72
Rot. Bonds3

About 2-amino-2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetic acid

2-amino-2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetic acid (PubChem CID 83876501) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-amino-2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetic acid
PubChem CID83876501
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-amino-2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetic acid
SMILESCCn1[nH]c(C(N)C(=O)O)cc1=O
InChIInChI=1S/C7H11N3O3/c1-2-10-5(11)3-4(9-10)6(8)7(12)13/h3,6,9H,2,8H2,1H3,(H,12,13)
InChIKeyJDNNINKKNGEPQS-UHFFFAOYSA-N
XLogP-0.72
TPSA101.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetic acid (CID 83876501) is 2-amino-2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetic acid is CCn1[nH]c(C(N)C(=O)O)cc1=O.
What is the InChIKey of 2-amino-2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetic acid?
The InChIKey is JDNNINKKNGEPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-2-10-5(11)3-4(9-10)6(8)7(12)13/h3,6,9H,2,8H2,1H3,(H,12,13).
What are the key properties of 2-amino-2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetic acid?
2-amino-2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetic acid has a molecular weight of 185.18 g/mol, XLogP of -0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetic acid is sourced from PubChem (CID 83876501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).