(2S)-6-amino-2-(1H-pyrazol-4-ylamino)hexanoic acid

C9H16N4O2 — CID 172756279

IUPAC(2S)-6-amino-2-(1H-pyrazol-4-ylamino)hexanoic acid
SMILESNCCCC[C@H](Nc1cn[nH]c1)C(=O)O
InChIInChI=1S/C9H16N4O2/c10-4-2-1-3-8(9(14)15)13-7-5-11-12-6-7/h5-6,8,13H,1-4,10H2,(H,11,12)(H,14,15)/t8-/m0/s1
InChIKeyLBICNUIFFCVPQN-QMMMGPOBSA-N
MW212.25 g/mol
LogP0.40
Rot. Bonds7

About (2S)-6-amino-2-(1H-pyrazol-4-ylamino)hexanoic acid

(2S)-6-amino-2-(1H-pyrazol-4-ylamino)hexanoic acid (PubChem CID 172756279) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2S)-6-amino-2-(1H-pyrazol-4-ylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(1H-pyrazol-4-ylamino)hexanoic acid
PubChem CID172756279
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name(2S)-6-amino-2-(1H-pyrazol-4-ylamino)hexanoic acid
SMILESNCCCC[C@H](Nc1cn[nH]c1)C(=O)O
InChIInChI=1S/C9H16N4O2/c10-4-2-1-3-8(9(14)15)13-7-5-11-12-6-7/h5-6,8,13H,1-4,10H2,(H,11,12)(H,14,15)/t8-/m0/s1
InChIKeyLBICNUIFFCVPQN-QMMMGPOBSA-N
XLogP0.40
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-6-amino-2-(1H-pyrazol-4-ylamino)hexanoic 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

2-(1H-pyrazol-4-ylamino)butanoic acid
CID 115352398
(2R)-2-(1H-pyrazol-4-ylcarbamoylamino)hexanedioic acid
CID 114007193
5-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212676
(2S)-6-amino-2-(2-deuterio-3-methylanilino)hexanoic acid
CID 142634333
(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid
CID 81076977
2-methyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid
CID 62671333
(2S)-6-amino-2-(phenoxyamino)hexanoic acid
CID 20593385
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
6-amino-2-(hydroxymethylamino)hexanoic acid
CID 18519143
6-amino-2-(carboxymethylamino)hexanoic acid
CID 11680034
4-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid
CID 61209823

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(1H-pyrazol-4-ylamino)hexanoic acid?
The IUPAC name of (2S)-6-amino-2-(1H-pyrazol-4-ylamino)hexanoic acid (CID 172756279) is (2S)-6-amino-2-(1H-pyrazol-4-ylamino)hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(1H-pyrazol-4-ylamino)hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(1H-pyrazol-4-ylamino)hexanoic acid is NCCCC[C@H](Nc1cn[nH]c1)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(1H-pyrazol-4-ylamino)hexanoic acid?
The InChIKey is LBICNUIFFCVPQN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N4O2/c10-4-2-1-3-8(9(14)15)13-7-5-11-12-6-7/h5-6,8,13H,1-4,10H2,(H,11,12)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-6-amino-2-(1H-pyrazol-4-ylamino)hexanoic acid?
(2S)-6-amino-2-(1H-pyrazol-4-ylamino)hexanoic acid has a molecular weight of 212.25 g/mol, XLogP of 0.40, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(1H-pyrazol-4-ylamino)hexanoic acid is sourced from PubChem (CID 172756279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).