2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid

C9H14N4O3 — CID 61285548

IUPAC2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid
SMILESNCCCC(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C9H14N4O3/c10-3-1-2-8(14)12-7-4-11-13(5-7)6-9(15)16/h4-5H,1-3,6,10H2,(H,12,14)(H,15,16)
InChIKeyUWJZJIRQWPQQEI-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.35
Rot. Bonds6

About 2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid

2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid (PubChem CID 61285548) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid
PubChem CID61285548
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid
SMILESNCCCC(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C9H14N4O3/c10-3-1-2-8(14)12-7-4-11-13(5-7)6-9(15)16/h4-5H,1-3,6,10H2,(H,12,14)(H,15,16)
InChIKeyUWJZJIRQWPQQEI-UHFFFAOYSA-N
XLogP-0.35
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-[3-(2-aminophenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 107273013
2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 61017720
2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 76897580
2-[4-[(5-amino-5-oxopentyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 106238927
2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid
CID 103513201
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide
CID 119871229
2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 113416289
2-[4-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 102907100
2-[4-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]pyrazol-1-yl]acetic acid
CID 107471894
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 60946190
2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
CID 61018747

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid (CID 61285548) is 2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid is NCCCC(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid?
The InChIKey is UWJZJIRQWPQQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c10-3-1-2-8(14)12-7-4-11-13(5-7)6-9(15)16/h4-5H,1-3,6,10H2,(H,12,14)(H,15,16).
What are the key properties of 2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid?
2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid has a molecular weight of 226.24 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61285548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).