(2R)-2-(2-pyrazol-1-ylpropanoylamino)hexanedioic acid

C12H17N3O5 — CID 107831630

IUPAC(2R)-2-(2-pyrazol-1-ylpropanoylamino)hexanedioic acid
SMILESCC(C(=O)N[C@H](CCCC(=O)O)C(=O)O)n1cccn1
InChIInChI=1S/C12H17N3O5/c1-8(15-7-3-6-13-15)11(18)14-9(12(19)20)4-2-5-10(16)17/h3,6-9H,2,4-5H2,1H3,(H,14,18)(H,16,17)(H,19,20)/t8?,9-/m1/s1
InChIKeyNVNBFNSBLCKTKO-YGPZHTELSA-N
MW283.28 g/mol
LogP0.27
Rot. Bonds8

About (2R)-2-(2-pyrazol-1-ylpropanoylamino)hexanedioic acid

(2R)-2-(2-pyrazol-1-ylpropanoylamino)hexanedioic acid (PubChem CID 107831630) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is (2R)-2-(2-pyrazol-1-ylpropanoylamino)hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-(2-pyrazol-1-ylpropanoylamino)hexanedioic acid
PubChem CID107831630
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name(2R)-2-(2-pyrazol-1-ylpropanoylamino)hexanedioic acid
SMILESCC(C(=O)N[C@H](CCCC(=O)O)C(=O)O)n1cccn1
InChIInChI=1S/C12H17N3O5/c1-8(15-7-3-6-13-15)11(18)14-9(12(19)20)4-2-5-10(16)17/h3,6-9H,2,4-5H2,1H3,(H,14,18)(H,16,17)(H,19,20)/t8?,9-/m1/s1
InChIKeyNVNBFNSBLCKTKO-YGPZHTELSA-N
XLogP0.27
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(2-pyrazol-1-ylpropanoylamino)hexanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[methyl(2-pyrazol-1-ylpropanoyl)amino]propanoic acid
CID 60988614
3-methyl-2-[(2-pyrazol-1-ylpropanoylamino)methyl]butanoic acid
CID 65220604
2-[[4-carboxy-2-(2-methylpropanoylamino)butanoyl]amino]pentanedioic acid
CID 140657577
N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide
CID 134060458
(2S)-2-(2-methylheptanoylamino)pentanedioic acid
CID 90258188
(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid
CID 170835683
5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid
CID 82854624
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]pentanedioic acid
CID 175784350
1-[(2-pyrazol-1-ylpropanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81363026
(2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 95934280
(2S)-2-[[(2R)-2,3-dimethylbutanoyl]amino]pentanedioic acid
CID 176727519

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-pyrazol-1-ylpropanoylamino)hexanedioic acid?
The IUPAC name of (2R)-2-(2-pyrazol-1-ylpropanoylamino)hexanedioic acid (CID 107831630) is (2R)-2-(2-pyrazol-1-ylpropanoylamino)hexanedioic acid.
What is the SMILES notation for (2R)-2-(2-pyrazol-1-ylpropanoylamino)hexanedioic acid?
The canonical SMILES for (2R)-2-(2-pyrazol-1-ylpropanoylamino)hexanedioic acid is CC(C(=O)N[C@H](CCCC(=O)O)C(=O)O)n1cccn1.
What is the InChIKey of (2R)-2-(2-pyrazol-1-ylpropanoylamino)hexanedioic acid?
The InChIKey is NVNBFNSBLCKTKO-YGPZHTELSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-8(15-7-3-6-13-15)11(18)14-9(12(19)20)4-2-5-10(16)17/h3,6-9H,2,4-5H2,1H3,(H,14,18)(H,16,17)(H,19,20)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-(2-pyrazol-1-ylpropanoylamino)hexanedioic acid?
(2R)-2-(2-pyrazol-1-ylpropanoylamino)hexanedioic acid has a molecular weight of 283.28 g/mol, XLogP of 0.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-pyrazol-1-ylpropanoylamino)hexanedioic acid is sourced from PubChem (CID 107831630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).