2-[[(1R,2R)-2-fluorocyclohexyl]amino]-2-oxoacetic acid

C8H12FNO3 — CID 130680345

IUPAC2-[[(1R,2R)-2-fluorocyclohexyl]amino]-2-oxoacetic acid
SMILESO=C(O)C(=O)N[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C8H12FNO3/c9-5-3-1-2-4-6(5)10-7(11)8(12)13/h5-6H,1-4H2,(H,10,11)(H,12,13)/t5-,6-/m1/s1
InChIKeyUOLRGDTVFPNBBZ-PHDIDXHHSA-N
MW189.19 g/mol
LogP0.47
Rot. Bonds1

About 2-[[(1R,2R)-2-fluorocyclohexyl]amino]-2-oxoacetic acid

2-[[(1R,2R)-2-fluorocyclohexyl]amino]-2-oxoacetic acid (PubChem CID 130680345) has the molecular formula C8H12FNO3 and a molecular weight of 189.19 g/mol. Its IUPAC name is 2-[[(1R,2R)-2-fluorocyclohexyl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[[(1R,2R)-2-fluorocyclohexyl]amino]-2-oxoacetic acid
PubChem CID130680345
Molecular FormulaC8H12FNO3
Molecular Weight189.19 g/mol
Exact Mass189.08
IUPAC Name2-[[(1R,2R)-2-fluorocyclohexyl]amino]-2-oxoacetic acid
SMILESO=C(O)C(=O)N[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C8H12FNO3/c9-5-3-1-2-4-6(5)10-7(11)8(12)13/h5-6H,1-4H2,(H,10,11)(H,12,13)/t5-,6-/m1/s1
InChIKeyUOLRGDTVFPNBBZ-PHDIDXHHSA-N
XLogP0.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid
CID 43445011
1-fluoro-2-[2-[(2-fluorocyclohexyl)amino]hydrazinyl]cyclohexane
CID 5246659
N-[(1R,2R)-2-fluorocyclopentyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 138988868
1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015640
N'-[(1R,2S)-2-methylcyclohexyl]oxamide
CID 124605602
cis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride
CID 164886232
4-[(2-aminocyclohexyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993018
N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-1H-imidazole-5-carboxamide
CID 126791063
1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122015648
2-(4-cyclopropylphenyl)-N-[(1S,2S)-2-fluorocyclopentyl]acetamide
CID 164984454
trans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine
CID 165095676
trans-(1R,2R)-N-cyclobutyl-2-fluorocyclohexan-1-amine
CID 126847798

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R)-2-fluorocyclohexyl]amino]-2-oxoacetic acid?
The IUPAC name of 2-[[(1R,2R)-2-fluorocyclohexyl]amino]-2-oxoacetic acid (CID 130680345) is 2-[[(1R,2R)-2-fluorocyclohexyl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[[(1R,2R)-2-fluorocyclohexyl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-[[(1R,2R)-2-fluorocyclohexyl]amino]-2-oxoacetic acid is O=C(O)C(=O)N[C@@H]1CCCC[C@H]1F.
What is the InChIKey of 2-[[(1R,2R)-2-fluorocyclohexyl]amino]-2-oxoacetic acid?
The InChIKey is UOLRGDTVFPNBBZ-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H12FNO3/c9-5-3-1-2-4-6(5)10-7(11)8(12)13/h5-6H,1-4H2,(H,10,11)(H,12,13)/t5-,6-/m1/s1.
What are the key properties of 2-[[(1R,2R)-2-fluorocyclohexyl]amino]-2-oxoacetic acid?
2-[[(1R,2R)-2-fluorocyclohexyl]amino]-2-oxoacetic acid has a molecular weight of 189.19 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R)-2-fluorocyclohexyl]amino]-2-oxoacetic acid is sourced from PubChem (CID 130680345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).