2-amino-3-(5-ethyl-1H-pyrazol-4-yl)propanoic acid

C8H13N3O2 — CID 55267481

IUPAC2-amino-3-(5-ethyl-1H-pyrazol-4-yl)propanoic acid
SMILESCCc1[nH]ncc1CC(N)C(=O)O
InChIInChI=1S/C8H13N3O2/c1-2-7-5(4-10-11-7)3-6(9)8(12)13/h4,6H,2-3,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyCDYJYLOEXKRTHF-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.07
Rot. Bonds4

About 2-amino-3-(5-ethyl-1H-pyrazol-4-yl)propanoic acid

2-amino-3-(5-ethyl-1H-pyrazol-4-yl)propanoic acid (PubChem CID 55267481) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-amino-3-(5-ethyl-1H-pyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-ethyl-1H-pyrazol-4-yl)propanoic acid
PubChem CID55267481
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-amino-3-(5-ethyl-1H-pyrazol-4-yl)propanoic acid
SMILESCCc1[nH]ncc1CC(N)C(=O)O
InChIInChI=1S/C8H13N3O2/c1-2-7-5(4-10-11-7)3-6(9)8(12)13/h4,6H,2-3,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyCDYJYLOEXKRTHF-UHFFFAOYSA-N
XLogP-0.07
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
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-amino-3-(5-ethyl-1H-pyrazol-4-yl)propanoic acid?
The IUPAC name of 2-amino-3-(5-ethyl-1H-pyrazol-4-yl)propanoic acid (CID 55267481) is 2-amino-3-(5-ethyl-1H-pyrazol-4-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-ethyl-1H-pyrazol-4-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-ethyl-1H-pyrazol-4-yl)propanoic acid is CCc1[nH]ncc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(5-ethyl-1H-pyrazol-4-yl)propanoic acid?
The InChIKey is CDYJYLOEXKRTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-7-5(4-10-11-7)3-6(9)8(12)13/h4,6H,2-3,9H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-amino-3-(5-ethyl-1H-pyrazol-4-yl)propanoic acid?
2-amino-3-(5-ethyl-1H-pyrazol-4-yl)propanoic acid has a molecular weight of 183.21 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-ethyl-1H-pyrazol-4-yl)propanoic acid is sourced from PubChem (CID 55267481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).