(2S)-2-aminopentanedioic acid;hydrochloride

C5H10ClNO4 — CID 2723891

IUPAC(2S)-2-aminopentanedioic acid;hydrochloride
SMILESCl.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.ClH/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H/t3-;/m0./s1
InChIKeyRPAJSBKBKSSMLJ-DFWYDOINSA-N
MW183.59 g/mol
LogP-0.32
Rot. Bonds4

About (2S)-2-aminopentanedioic acid;hydrochloride

(2S)-2-aminopentanedioic acid;hydrochloride (PubChem CID 2723891) has the molecular formula C5H10ClNO4 and a molecular weight of 183.59 g/mol. Its IUPAC name is (2S)-2-aminopentanedioic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-aminopentanedioic acid;hydrochloride
PubChem CID2723891
Molecular FormulaC5H10ClNO4
Molecular Weight183.59 g/mol
Exact Mass183.03
IUPAC Name(2S)-2-aminopentanedioic acid;hydrochloride
SMILESCl.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.ClH/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H/t3-;/m0./s1
InChIKeyRPAJSBKBKSSMLJ-DFWYDOINSA-N
XLogP-0.32
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.59
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-aminopentanedioic acid;hydrochloride 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-aminopentanedioic acid;hydrochloride?
The IUPAC name of (2S)-2-aminopentanedioic acid;hydrochloride (CID 2723891) is (2S)-2-aminopentanedioic acid;hydrochloride.
What is the SMILES notation for (2S)-2-aminopentanedioic acid;hydrochloride?
The canonical SMILES for (2S)-2-aminopentanedioic acid;hydrochloride is Cl.N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-aminopentanedioic acid;hydrochloride?
The InChIKey is RPAJSBKBKSSMLJ-DFWYDOINSA-N. The full InChI is InChI=1S/C5H9NO4.ClH/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H/t3-;/m0./s1.
What are the key properties of (2S)-2-aminopentanedioic acid;hydrochloride?
(2S)-2-aminopentanedioic acid;hydrochloride has a molecular weight of 183.59 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopentanedioic acid;hydrochloride is sourced from PubChem (CID 2723891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).