2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid

C11H16F3NO4 — CID 65065934

IUPAC2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)7-1-3-8(4-2-7)15(5-9(16)17)6-10(18)19/h7-8H,1-6H2,(H,16,17)(H,18,19)
InChIKeyHFLFZRKLUXJBCN-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.58
Rot. Bonds5

About 2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid

2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid (PubChem CID 65065934) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
PubChem CID65065934
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)7-1-3-8(4-2-7)15(5-9(16)17)6-10(18)19/h7-8H,1-6H2,(H,16,17)(H,18,19)
InChIKeyHFLFZRKLUXJBCN-UHFFFAOYSA-N
XLogP1.58
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid
CID 65066014
2-[cyclopropyl-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]acetic acid
CID 120517533
2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid
CID 57287065
2-[propyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid
CID 65065038
2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane
CID 164530893
N-ethyl-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 162576485
2-[cyclopentyl(cyclopentylmethyl)amino]acetic acid
CID 61342644
2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 54945400
2-[(1,1-dioxothian-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266190
2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid
CID 65094431
2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid
CID 54945212
2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 54957297

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid (CID 65065934) is 2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid is O=C(O)CN(CC(=O)O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid?
The InChIKey is HFLFZRKLUXJBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c12-11(13,14)7-1-3-8(4-2-7)15(5-9(16)17)6-10(18)19/h7-8H,1-6H2,(H,16,17)(H,18,19).
What are the key properties of 2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid?
2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid has a molecular weight of 283.25 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid is sourced from PubChem (CID 65065934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).