2-[amino(carboxy)methyl]-3-(2-carboxyethyl)cyclopropane-1-carboxylic acid;hydrochloride

C9H14ClNO6 — CID 70169674

IUPAC2-[amino(carboxy)methyl]-3-(2-carboxyethyl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.NC(C(=O)O)C1C(CCC(=O)O)C1C(=O)O
InChIInChI=1S/C9H13NO6.ClH/c10-7(9(15)16)5-3(1-2-4(11)12)6(5)8(13)14;/h3,5-7H,1-2,10H2,(H,11,12)(H,13,14)(H,15,16);1H
InChIKeyUWIOPZUBOCMHJZ-UHFFFAOYSA-N
MW267.66 g/mol
LogP-0.37
Rot. Bonds6

About 2-[amino(carboxy)methyl]-3-(2-carboxyethyl)cyclopropane-1-carboxylic acid;hydrochloride

2-[amino(carboxy)methyl]-3-(2-carboxyethyl)cyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 70169674) has the molecular formula C9H14ClNO6 and a molecular weight of 267.66 g/mol. Its IUPAC name is 2-[amino(carboxy)methyl]-3-(2-carboxyethyl)cyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-[amino(carboxy)methyl]-3-(2-carboxyethyl)cyclopropane-1-carboxylic acid;hydrochloride
PubChem CID70169674
Molecular FormulaC9H14ClNO6
Molecular Weight267.66 g/mol
Exact Mass267.05
IUPAC Name2-[amino(carboxy)methyl]-3-(2-carboxyethyl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.NC(C(=O)O)C1C(CCC(=O)O)C1C(=O)O
InChIInChI=1S/C9H13NO6.ClH/c10-7(9(15)16)5-3(1-2-4(11)12)6(5)8(13)14;/h3,5-7H,1-2,10H2,(H,11,12)(H,13,14)(H,15,16);1H
InChIKeyUWIOPZUBOCMHJZ-UHFFFAOYSA-N
XLogP-0.37
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.66
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[amino(carboxy)methyl]-3-(2-carboxyethyl)cyclopropane-1-carboxylic 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

Related Compounds

(1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(2-fluoroethyl)cyclopropane-1-carboxylic acid
CID 59925065
(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-propylcyclopropane-1-carboxylic acid
CID 15382774
(1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-prop-2-enylcyclopropane-1-carboxylic acid
CID 70003963
trans-(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid
CID 5310979
2-[amino(carboxy)methyl]-3-[2-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxylic acid
CID 70168229
(1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid;(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 160770564
(1R,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid
CID 58719615
2-[(S)-amino(carboxy)methyl]-3-cyanocyclopropane-1-carboxylic acid
CID 70013860
(1R,2R,3R)-2-[(R)-amino(carboxy)methyl]-3-phenylcyclopropane-1-carboxylic acid
CID 10681240
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
(1R,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(cyclohexylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 58719622
3-[(1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclopropyl]propanoic acid
CID 124643612

Frequently Asked Questions

What is the IUPAC name of 2-[amino(carboxy)methyl]-3-(2-carboxyethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of 2-[amino(carboxy)methyl]-3-(2-carboxyethyl)cyclopropane-1-carboxylic acid;hydrochloride (CID 70169674) is 2-[amino(carboxy)methyl]-3-(2-carboxyethyl)cyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-[amino(carboxy)methyl]-3-(2-carboxyethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 2-[amino(carboxy)methyl]-3-(2-carboxyethyl)cyclopropane-1-carboxylic acid;hydrochloride is Cl.NC(C(=O)O)C1C(CCC(=O)O)C1C(=O)O.
What is the InChIKey of 2-[amino(carboxy)methyl]-3-(2-carboxyethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is UWIOPZUBOCMHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO6.ClH/c10-7(9(15)16)5-3(1-2-4(11)12)6(5)8(13)14;/h3,5-7H,1-2,10H2,(H,11,12)(H,13,14)(H,15,16);1H.
What are the key properties of 2-[amino(carboxy)methyl]-3-(2-carboxyethyl)cyclopropane-1-carboxylic acid;hydrochloride?
2-[amino(carboxy)methyl]-3-(2-carboxyethyl)cyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 267.66 g/mol, XLogP of -0.37, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(carboxy)methyl]-3-(2-carboxyethyl)cyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 70169674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).