methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate

C16H23NO2 — CID 98077087

IUPACmethyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate
SMILESCOC(=O)[C@H](N[C@@H]1CCCC[C@@H]1C)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-12-8-6-7-11-14(12)17-15(16(18)19-2)13-9-4-3-5-10-13/h3-5,9-10,12,14-15,17H,6-8,11H2,1-2H3/t12-,14+,15+/m0/s1
InChIKeyRCVKYUZFFIUVAG-NWANDNLSSA-N
MW261.37 g/mol
LogP3.07
Rot. Bonds4

About methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate

methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate (PubChem CID 98077087) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate
PubChem CID98077087
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate
SMILESCOC(=O)[C@H](N[C@@H]1CCCC[C@@H]1C)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-12-8-6-7-11-14(12)17-15(16(18)19-2)13-9-4-3-5-10-13/h3-5,9-10,12,14-15,17H,6-8,11H2,1-2H3/t12-,14+,15+/m0/s1
InChIKeyRCVKYUZFFIUVAG-NWANDNLSSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate
CID 65080240
2-[(2-methylcyclohexyl)amino]-2-(4-methylsulfanylphenyl)acetic acid
CID 84746671
methyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate
CID 115618836
N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide
CID 7909419
methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
CID 107068110
methyl 2-[(2-methylcyclohexyl)amino]butanoate
CID 115279491
methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate
CID 60796680
cis-(1R,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377362
trans-(1S,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377360
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7749921
1-benzhydryl-3-(2-methylcyclohexyl)urea
CID 108867484

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate (CID 98077087) is methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate is COC(=O)[C@H](N[C@@H]1CCCC[C@@H]1C)c1ccccc1.
What is the InChIKey of methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate?
The InChIKey is RCVKYUZFFIUVAG-NWANDNLSSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-8-6-7-11-14(12)17-15(16(18)19-2)13-9-4-3-5-10-13/h3-5,9-10,12,14-15,17H,6-8,11H2,1-2H3/t12-,14+,15+/m0/s1.
What are the key properties of methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate?
methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate has a molecular weight of 261.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate is sourced from PubChem (CID 98077087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).