2-[(2-aminocyclohexanecarbonyl)-(carboxymethyl)amino]acetic acid

C11H18N2O5 — CID 64822709

IUPAC2-[(2-aminocyclohexanecarbonyl)-(carboxymethyl)amino]acetic acid
SMILESNC1CCCCC1C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H18N2O5/c12-8-4-2-1-3-7(8)11(18)13(5-9(14)15)6-10(16)17/h7-8H,1-6,12H2,(H,14,15)(H,16,17)
InChIKeyIREKQQDSQWZMQJ-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.50
Rot. Bonds5

About 2-[(2-aminocyclohexanecarbonyl)-(carboxymethyl)amino]acetic acid

2-[(2-aminocyclohexanecarbonyl)-(carboxymethyl)amino]acetic acid (PubChem CID 64822709) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[(2-aminocyclohexanecarbonyl)-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-aminocyclohexanecarbonyl)-(carboxymethyl)amino]acetic acid
PubChem CID64822709
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[(2-aminocyclohexanecarbonyl)-(carboxymethyl)amino]acetic acid
SMILESNC1CCCCC1C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H18N2O5/c12-8-4-2-1-3-7(8)11(18)13(5-9(14)15)6-10(16)17/h7-8H,1-6,12H2,(H,14,15)(H,16,17)
InChIKeyIREKQQDSQWZMQJ-UHFFFAOYSA-N
XLogP-0.50
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-aminocyclohexanecarbonyl)-(carboxymethyl)amino]acetic 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

trans-(1R,2R)-2-amino-N,N-bis(cyclopropylmethyl)cycloheptane-1-carboxamide
CID 97161450
cis-(1S,2R)-2-amino-N,N-bis(cyclopropylmethyl)cycloheptane-1-carboxamide
CID 97161449
2-amino-N-ethyl-N-propylcyclohexane-1-carboxamide
CID 62777516
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide
CID 24751167
cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
CID 127239829
2-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 64825146
2-amino-N,N-dimethylcyclopentane-1-carboxamide
CID 59215971
2-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 62776305
3-amino-N,N-diethyl-2-methylcyclohexane-1-carboxamide
CID 62777725
2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
CID 64824749
trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride
CID 131632809

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexanecarbonyl)-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[(2-aminocyclohexanecarbonyl)-(carboxymethyl)amino]acetic acid (CID 64822709) is 2-[(2-aminocyclohexanecarbonyl)-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-aminocyclohexanecarbonyl)-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-aminocyclohexanecarbonyl)-(carboxymethyl)amino]acetic acid is NC1CCCCC1C(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[(2-aminocyclohexanecarbonyl)-(carboxymethyl)amino]acetic acid?
The InChIKey is IREKQQDSQWZMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c12-8-4-2-1-3-7(8)11(18)13(5-9(14)15)6-10(16)17/h7-8H,1-6,12H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-aminocyclohexanecarbonyl)-(carboxymethyl)amino]acetic acid?
2-[(2-aminocyclohexanecarbonyl)-(carboxymethyl)amino]acetic acid has a molecular weight of 258.27 g/mol, XLogP of -0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexanecarbonyl)-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 64822709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).