2-(2-amino-2-methoxycarbonylcyclopropyl)acetic acid;hydrochloride

C7H12ClNO4 — CID 74893750

IUPAC2-(2-amino-2-methoxycarbonylcyclopropyl)acetic acid;hydrochloride
SMILESCOC(=O)C1(N)CC1CC(=O)O.Cl
InChIInChI=1S/C7H11NO4.ClH/c1-12-6(11)7(8)3-4(7)2-5(9)10;/h4H,2-3,8H2,1H3,(H,9,10);1H
InChIKeyWBNVZLBIFYAHQU-UHFFFAOYSA-N
MW209.63 g/mol
LogP-0.23
Rot. Bonds3

About 2-(2-amino-2-methoxycarbonylcyclopropyl)acetic acid;hydrochloride

2-(2-amino-2-methoxycarbonylcyclopropyl)acetic acid;hydrochloride (PubChem CID 74893750) has the molecular formula C7H12ClNO4 and a molecular weight of 209.63 g/mol. Its IUPAC name is 2-(2-amino-2-methoxycarbonylcyclopropyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-amino-2-methoxycarbonylcyclopropyl)acetic acid;hydrochloride
PubChem CID74893750
Molecular FormulaC7H12ClNO4
Molecular Weight209.63 g/mol
Exact Mass209.05
IUPAC Name2-(2-amino-2-methoxycarbonylcyclopropyl)acetic acid;hydrochloride
SMILESCOC(=O)C1(N)CC1CC(=O)O.Cl
InChIInChI=1S/C7H11NO4.ClH/c1-12-6(11)7(8)3-4(7)2-5(9)10;/h4H,2-3,8H2,1H3,(H,9,10);1H
InChIKeyWBNVZLBIFYAHQU-UHFFFAOYSA-N
XLogP-0.23
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-amino-2-methoxycarbonylcyclopropyl)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-(2-amino-2-methoxycarbonylcyclopropyl)acetic acid;hydrochloride?
The IUPAC name of 2-(2-amino-2-methoxycarbonylcyclopropyl)acetic acid;hydrochloride (CID 74893750) is 2-(2-amino-2-methoxycarbonylcyclopropyl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(2-amino-2-methoxycarbonylcyclopropyl)acetic acid;hydrochloride?
The canonical SMILES for 2-(2-amino-2-methoxycarbonylcyclopropyl)acetic acid;hydrochloride is COC(=O)C1(N)CC1CC(=O)O.Cl.
What is the InChIKey of 2-(2-amino-2-methoxycarbonylcyclopropyl)acetic acid;hydrochloride?
The InChIKey is WBNVZLBIFYAHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4.ClH/c1-12-6(11)7(8)3-4(7)2-5(9)10;/h4H,2-3,8H2,1H3,(H,9,10);1H.
What are the key properties of 2-(2-amino-2-methoxycarbonylcyclopropyl)acetic acid;hydrochloride?
2-(2-amino-2-methoxycarbonylcyclopropyl)acetic acid;hydrochloride has a molecular weight of 209.63 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methoxycarbonylcyclopropyl)acetic acid;hydrochloride is sourced from PubChem (CID 74893750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).