2-(carboxymethyl)-1-(carboxymethylcarbamoylamino)cyclopropane-1-carboxylic acid

C9H12N2O7 — CID 144538821

IUPAC2-(carboxymethyl)-1-(carboxymethylcarbamoylamino)cyclopropane-1-carboxylic acid
SMILESO=C(O)CNC(=O)NC1(C(=O)O)CC1CC(=O)O
InChIInChI=1S/C9H12N2O7/c12-5(13)1-4-2-9(4,7(16)17)11-8(18)10-3-6(14)15/h4H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H2,10,11,18)
InChIKeyFUFYCNRACNJRCR-UHFFFAOYSA-N
MW260.20 g/mol
LogP-1.31
Rot. Bonds6

About 2-(carboxymethyl)-1-(carboxymethylcarbamoylamino)cyclopropane-1-carboxylic acid

2-(carboxymethyl)-1-(carboxymethylcarbamoylamino)cyclopropane-1-carboxylic acid (PubChem CID 144538821) has the molecular formula C9H12N2O7 and a molecular weight of 260.20 g/mol. Its IUPAC name is 2-(carboxymethyl)-1-(carboxymethylcarbamoylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(carboxymethyl)-1-(carboxymethylcarbamoylamino)cyclopropane-1-carboxylic acid
PubChem CID144538821
Molecular FormulaC9H12N2O7
Molecular Weight260.20 g/mol
Exact Mass260.06
IUPAC Name2-(carboxymethyl)-1-(carboxymethylcarbamoylamino)cyclopropane-1-carboxylic acid
SMILESO=C(O)CNC(=O)NC1(C(=O)O)CC1CC(=O)O
InChIInChI=1S/C9H12N2O7/c12-5(13)1-4-2-9(4,7(16)17)11-8(18)10-3-6(14)15/h4H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H2,10,11,18)
InChIKeyFUFYCNRACNJRCR-UHFFFAOYSA-N
XLogP-1.31
TPSA153.03 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 5-1.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 2-(carboxymethyl)-1-(carboxymethylcarbamoylamino)cyclopropane-1-carboxylic acid 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

(1R)-1-(19-carboxynonadecanoylamino)-2-[2-(2-hydroxyethylamino)-2-oxoethyl]cyclopropane-1-carboxylic acid
CID 143864228
2-(2-tert-butyl-2-methylcyclopropyl)acetic acid
CID 84653843
2-[(1R)-2,2-dichlorocyclopropyl]acetic acid
CID 99811196
2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid
CID 4627778
1-amino-2-(carboxymethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 75132599
2-(oxaldehydoylamino)acetic acid
CID 18960539
2-spiro[2.3]hexan-6-ylacetic acid
CID 121207798
2-[(5,5-dimethyloxolan-3-yl)carbamoylamino]acetic acid
CID 131218860
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
CID 83121587
2-[[1-(4-aminophenyl)cyclopropyl]carbamoylamino]acetic acid
CID 110490899
1-(1-adamantyl)-3-(2-amino-2-sulfanylideneethyl)urea
CID 61127673
2-methyl-1-(3-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 16786937

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethyl)-1-(carboxymethylcarbamoylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(carboxymethyl)-1-(carboxymethylcarbamoylamino)cyclopropane-1-carboxylic acid (CID 144538821) is 2-(carboxymethyl)-1-(carboxymethylcarbamoylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(carboxymethyl)-1-(carboxymethylcarbamoylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(carboxymethyl)-1-(carboxymethylcarbamoylamino)cyclopropane-1-carboxylic acid is O=C(O)CNC(=O)NC1(C(=O)O)CC1CC(=O)O.
What is the InChIKey of 2-(carboxymethyl)-1-(carboxymethylcarbamoylamino)cyclopropane-1-carboxylic acid?
The InChIKey is FUFYCNRACNJRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O7/c12-5(13)1-4-2-9(4,7(16)17)11-8(18)10-3-6(14)15/h4H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H2,10,11,18).
What are the key properties of 2-(carboxymethyl)-1-(carboxymethylcarbamoylamino)cyclopropane-1-carboxylic acid?
2-(carboxymethyl)-1-(carboxymethylcarbamoylamino)cyclopropane-1-carboxylic acid has a molecular weight of 260.20 g/mol, XLogP of -1.31, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethyl)-1-(carboxymethylcarbamoylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 144538821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).