2-[carboxy-(carboxymethylamino)methyl]cyclopropane-1-carboxylic acid

C8H11NO6 — CID 12046152

IUPAC2-[carboxy-(carboxymethylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)CNC(C(=O)O)C1CC1C(=O)O
InChIInChI=1S/C8H11NO6/c10-5(11)2-9-6(8(14)15)3-1-4(3)7(12)13/h3-4,6,9H,1-2H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyAIPJAFOCRROMPW-UHFFFAOYSA-N
MW217.18 g/mol
LogP-1.17
Rot. Bonds6

About 2-[carboxy-(carboxymethylamino)methyl]cyclopropane-1-carboxylic acid

2-[carboxy-(carboxymethylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 12046152) has the molecular formula C8H11NO6 and a molecular weight of 217.18 g/mol. Its IUPAC name is 2-[carboxy-(carboxymethylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[carboxy-(carboxymethylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID12046152
Molecular FormulaC8H11NO6
Molecular Weight217.18 g/mol
Exact Mass217.06
IUPAC Name2-[carboxy-(carboxymethylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)CNC(C(=O)O)C1CC1C(=O)O
InChIInChI=1S/C8H11NO6/c10-5(11)2-9-6(8(14)15)3-1-4(3)7(12)13/h3-4,6,9H,1-2H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyAIPJAFOCRROMPW-UHFFFAOYSA-N
XLogP-1.17
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxy-(carboxymethylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[carboxy-(carboxymethylamino)methyl]cyclopropane-1-carboxylic acid (CID 12046152) is 2-[carboxy-(carboxymethylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[carboxy-(carboxymethylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[carboxy-(carboxymethylamino)methyl]cyclopropane-1-carboxylic acid is O=C(O)CNC(C(=O)O)C1CC1C(=O)O.
What is the InChIKey of 2-[carboxy-(carboxymethylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is AIPJAFOCRROMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO6/c10-5(11)2-9-6(8(14)15)3-1-4(3)7(12)13/h3-4,6,9H,1-2H2,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 2-[carboxy-(carboxymethylamino)methyl]cyclopropane-1-carboxylic acid?
2-[carboxy-(carboxymethylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 217.18 g/mol, XLogP of -1.17, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxy-(carboxymethylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 12046152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).