1-[bis(carboxymethyl)amino]cyclopentane-1-carboxylic acid

C10H15NO6 — CID 23422750

IUPAC1-[bis(carboxymethyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)CN(CC(=O)O)C1(C(=O)O)CCCC1
InChIInChI=1S/C10H15NO6/c12-7(13)5-11(6-8(14)15)10(9(16)17)3-1-2-4-10/h1-6H2,(H,12,13)(H,14,15)(H,16,17)
InChIKeyVXVKKYJWKSWHMZ-UHFFFAOYSA-N
MW245.23 g/mol
LogP-0.14
Rot. Bonds6

About 1-[bis(carboxymethyl)amino]cyclopentane-1-carboxylic acid

1-[bis(carboxymethyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 23422750) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is 1-[bis(carboxymethyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[bis(carboxymethyl)amino]cyclopentane-1-carboxylic acid
PubChem CID23422750
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name1-[bis(carboxymethyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)CN(CC(=O)O)C1(C(=O)O)CCCC1
InChIInChI=1S/C10H15NO6/c12-7(13)5-11(6-8(14)15)10(9(16)17)3-1-2-4-10/h1-6H2,(H,12,13)(H,14,15)(H,16,17)
InChIKeyVXVKKYJWKSWHMZ-UHFFFAOYSA-N
XLogP-0.14
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(carboxymethyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[bis(carboxymethyl)amino]cyclopentane-1-carboxylic acid (CID 23422750) is 1-[bis(carboxymethyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[bis(carboxymethyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[bis(carboxymethyl)amino]cyclopentane-1-carboxylic acid is O=C(O)CN(CC(=O)O)C1(C(=O)O)CCCC1.
What is the InChIKey of 1-[bis(carboxymethyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is VXVKKYJWKSWHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6/c12-7(13)5-11(6-8(14)15)10(9(16)17)3-1-2-4-10/h1-6H2,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 1-[bis(carboxymethyl)amino]cyclopentane-1-carboxylic acid?
1-[bis(carboxymethyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of -0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(carboxymethyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 23422750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).