(2S)-2-[2-(3-carboxypropyl)hydrazinyl]hexanoic acid

C10H20N2O4 — CID 18638457

IUPAC(2S)-2-[2-(3-carboxypropyl)hydrazinyl]hexanoic acid
SMILESCCCC[C@H](NNCCCC(=O)O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-2-3-5-8(10(15)16)12-11-7-4-6-9(13)14/h8,11-12H,2-7H2,1H3,(H,13,14)(H,15,16)/t8-/m0/s1
InChIKeyRCROHUDQDLQLAF-QMMMGPOBSA-N
MW232.28 g/mol
LogP0.59
Rot. Bonds10

About (2S)-2-[2-(3-carboxypropyl)hydrazinyl]hexanoic acid

(2S)-2-[2-(3-carboxypropyl)hydrazinyl]hexanoic acid (PubChem CID 18638457) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S)-2-[2-(3-carboxypropyl)hydrazinyl]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-(3-carboxypropyl)hydrazinyl]hexanoic acid
PubChem CID18638457
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2S)-2-[2-(3-carboxypropyl)hydrazinyl]hexanoic acid
SMILESCCCC[C@H](NNCCCC(=O)O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-2-3-5-8(10(15)16)12-11-7-4-6-9(13)14/h8,11-12H,2-7H2,1H3,(H,13,14)(H,15,16)/t8-/m0/s1
InChIKeyRCROHUDQDLQLAF-QMMMGPOBSA-N
XLogP0.59
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[2-(3-carboxypropyl)hydrazinyl]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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(3-carboxypropyl)hydrazinyl]hexanoic acid?
The IUPAC name of (2S)-2-[2-(3-carboxypropyl)hydrazinyl]hexanoic acid (CID 18638457) is (2S)-2-[2-(3-carboxypropyl)hydrazinyl]hexanoic acid.
What is the SMILES notation for (2S)-2-[2-(3-carboxypropyl)hydrazinyl]hexanoic acid?
The canonical SMILES for (2S)-2-[2-(3-carboxypropyl)hydrazinyl]hexanoic acid is CCCC[C@H](NNCCCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[2-(3-carboxypropyl)hydrazinyl]hexanoic acid?
The InChIKey is RCROHUDQDLQLAF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-2-3-5-8(10(15)16)12-11-7-4-6-9(13)14/h8,11-12H,2-7H2,1H3,(H,13,14)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-[2-(3-carboxypropyl)hydrazinyl]hexanoic acid?
(2S)-2-[2-(3-carboxypropyl)hydrazinyl]hexanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.59, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(3-carboxypropyl)hydrazinyl]hexanoic acid is sourced from PubChem (CID 18638457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).