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

C9H13N3O3 — CID 79139795

IUPAC2-[ethyl-[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Cc1ccn[nH]1
InChIInChI=1S/C9H13N3O3/c1-2-12(6-9(14)15)8(13)5-7-3-4-10-11-7/h3-4H,2,5-6H2,1H3,(H,10,11)(H,14,15)
InChIKeyMJPJYBDPDLCMBJ-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.11
Rot. Bonds5

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

2-[ethyl-[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid (PubChem CID 79139795) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[ethyl-[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid
PubChem CID79139795
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[ethyl-[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Cc1ccn[nH]1
InChIInChI=1S/C9H13N3O3/c1-2-12(6-9(14)15)8(13)5-7-3-4-10-11-7/h3-4H,2,5-6H2,1H3,(H,10,11)(H,14,15)
InChIKeyMJPJYBDPDLCMBJ-UHFFFAOYSA-N
XLogP-0.11
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea
CID 112729742
2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetic acid
CID 54901024
4-[[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]methyl]benzoic acid
CID 79139693
N-methyl-2-(1H-pyrazol-5-yl)acetamide
CID 79004016
2-[[2-(2,5-difluorophenyl)acetyl]-ethylamino]acetic acid
CID 119206164
propyl 2-(1H-pyrazol-5-yl)acetate
CID 79139219
2-[(1-methylpyrazol-3-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]acetic acid
CID 140748038
methyl 4-[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate
CID 79003930
2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
CID 61021983
N-ethyl-N-[[2-(1H-pyrazol-5-ylmethylamino)phenyl]methyl]acetamide
CID 71968112
2-[ethyl-[2-(2-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 61022230
2-[[2-(1,2-benzoxazol-3-yl)acetyl]-ethylamino]acetic acid
CID 54901072

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid (CID 79139795) is 2-[ethyl-[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid is CCN(CC(=O)O)C(=O)Cc1ccn[nH]1.
What is the InChIKey of 2-[ethyl-[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid?
The InChIKey is MJPJYBDPDLCMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-2-12(6-9(14)15)8(13)5-7-3-4-10-11-7/h3-4H,2,5-6H2,1H3,(H,10,11)(H,14,15).
What are the key properties of 2-[ethyl-[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid?
2-[ethyl-[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid has a molecular weight of 211.22 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 79139795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).