2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride

C5H10ClNO2 — CID 71769504

IUPAC2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride
SMILESCl.N[C@H]1C[C@H]1CC(=O)O
InChIInChI=1S/C5H9NO2.ClH/c6-4-1-3(4)2-5(7)8;/h3-4H,1-2,6H2,(H,7,8);1H/t3-,4-;/m0./s1
InChIKeyTXHWYCAFUCZXHZ-MMALYQPHSA-N
MW151.59 g/mol
LogP0.23
Rot. Bonds2

About 2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride

2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride (PubChem CID 71769504) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is 2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride
PubChem CID71769504
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Name2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride
SMILESCl.N[C@H]1C[C@H]1CC(=O)O
InChIInChI=1S/C5H9NO2.ClH/c6-4-1-3(4)2-5(7)8;/h3-4H,1-2,6H2,(H,7,8);1H/t3-,4-;/m0./s1
InChIKeyTXHWYCAFUCZXHZ-MMALYQPHSA-N
XLogP0.23
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(1S,2S)-2-aminocyclopropyl]acetic 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 2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride?
The IUPAC name of 2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride (CID 71769504) is 2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride?
The canonical SMILES for 2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride is Cl.N[C@H]1C[C@H]1CC(=O)O.
What is the InChIKey of 2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride?
The InChIKey is TXHWYCAFUCZXHZ-MMALYQPHSA-N. The full InChI is InChI=1S/C5H9NO2.ClH/c6-4-1-3(4)2-5(7)8;/h3-4H,1-2,6H2,(H,7,8);1H/t3-,4-;/m0./s1.
What are the key properties of 2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride?
2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride has a molecular weight of 151.59 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride is sourced from PubChem (CID 71769504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).