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

C11H18N4O3 — CID 61285745

IUPAC2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid
SMILESCCCCC(N)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C11H18N4O3/c1-2-3-4-9(12)11(18)14-8-5-13-15(6-8)7-10(16)17/h5-6,9H,2-4,7,12H2,1H3,(H,14,18)(H,16,17)
InChIKeyJAUCASOXTZMMPW-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.42
Rot. Bonds7

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

2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid (PubChem CID 61285745) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid
PubChem CID61285745
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid
SMILESCCCCC(N)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C11H18N4O3/c1-2-3-4-9(12)11(18)14-8-5-13-15(6-8)7-10(16)17/h5-6,9H,2-4,7,12H2,1H3,(H,14,18)(H,16,17)
InChIKeyJAUCASOXTZMMPW-UHFFFAOYSA-N
XLogP0.42
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 113416289
2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 76897580
2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide
CID 119328796
2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid
CID 103513201
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 54863171
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]pyrazol-1-yl]acetic acid
CID 107471894
2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide
CID 81082805
2-[4-[[butyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61184087
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide
CID 43705849
(2R)-2-amino-N-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutanamide
CID 104906984
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]pentanamide;hydrochloride
CID 119292254

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid (CID 61285745) is 2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid is CCCCC(N)C(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid?
The InChIKey is JAUCASOXTZMMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-2-3-4-9(12)11(18)14-8-5-13-15(6-8)7-10(16)17/h5-6,9H,2-4,7,12H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid?
2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61285745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).