2-[carboxymethyl-(2,2-dimethylcyclohexyl)amino]acetic acid

C12H21NO4 — CID 79852520

IUPAC2-[carboxymethyl-(2,2-dimethylcyclohexyl)amino]acetic acid
SMILESCC1(C)CCCCC1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C12H21NO4/c1-12(2)6-4-3-5-9(12)13(7-10(14)15)8-11(16)17/h9H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyXXGZGYKEJIFCAM-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.43
Rot. Bonds5

About 2-[carboxymethyl-(2,2-dimethylcyclohexyl)amino]acetic acid

2-[carboxymethyl-(2,2-dimethylcyclohexyl)amino]acetic acid (PubChem CID 79852520) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[carboxymethyl-(2,2-dimethylcyclohexyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(2,2-dimethylcyclohexyl)amino]acetic acid
PubChem CID79852520
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-[carboxymethyl-(2,2-dimethylcyclohexyl)amino]acetic acid
SMILESCC1(C)CCCCC1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C12H21NO4/c1-12(2)6-4-3-5-9(12)13(7-10(14)15)8-11(16)17/h9H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyXXGZGYKEJIFCAM-UHFFFAOYSA-N
XLogP1.43
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid;hydrate
CID 2723844
2-[(2,2-dimethylcyclohexyl)-methylamino]butanoic acid
CID 79852345
N,N-diethyl-2,2-dimethylcyclopentan-1-amine
CID 126990162
2-[cyclopropylmethyl-[(2,2-dimethylcyclohexyl)carbamoyl]amino]acetic acid
CID 79878621
2-[ethyl-(2-methylcyclohexyl)amino]acetic acid
CID 65063082
2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid
CID 60835424
4-[(2,2-dimethylcyclopentyl)-propan-2-ylamino]butanoic acid
CID 79863209
2-[(3,3-dimethylcyclopentyl)-ethylamino]acetic acid
CID 80698921
2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979
2-[cyclopentyl(2-methylpropyl)amino]acetic acid
CID 60835237
2-[[2-[bis(hydroperoxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
CID 23594176
2-[cyanomethyl(cyclopentyl)amino]acetic acid
CID 60833018

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(2,2-dimethylcyclohexyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(2,2-dimethylcyclohexyl)amino]acetic acid (CID 79852520) is 2-[carboxymethyl-(2,2-dimethylcyclohexyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(2,2-dimethylcyclohexyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(2,2-dimethylcyclohexyl)amino]acetic acid is CC1(C)CCCCC1N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-(2,2-dimethylcyclohexyl)amino]acetic acid?
The InChIKey is XXGZGYKEJIFCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2)6-4-3-5-9(12)13(7-10(14)15)8-11(16)17/h9H,3-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-(2,2-dimethylcyclohexyl)amino]acetic acid?
2-[carboxymethyl-(2,2-dimethylcyclohexyl)amino]acetic acid has a molecular weight of 243.30 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(2,2-dimethylcyclohexyl)amino]acetic acid is sourced from PubChem (CID 79852520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).