2-[[(2R)-2-(2-fluorophenyl)-2-methoxypropanoyl]amino]ethyl carbamate

C13H17FN2O4 — CID 99797130

IUPAC2-[[(2R)-2-(2-fluorophenyl)-2-methoxypropanoyl]amino]ethyl carbamate
SMILESCO[C@@](C)(C(=O)NCCOC(N)=O)c1ccccc1F
InChIInChI=1S/C13H17FN2O4/c1-13(19-2,9-5-3-4-6-10(9)14)11(17)16-7-8-20-12(15)18/h3-6H,7-8H2,1-2H3,(H2,15,18)(H,16,17)/t13-/m1/s1
InChIKeyIYUKRFZQGSJRSS-CYBMUJFWSA-N
MW284.29 g/mol
LogP0.90
Rot. Bonds6

About 2-[[(2R)-2-(2-fluorophenyl)-2-methoxypropanoyl]amino]ethyl carbamate

2-[[(2R)-2-(2-fluorophenyl)-2-methoxypropanoyl]amino]ethyl carbamate (PubChem CID 99797130) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[[(2R)-2-(2-fluorophenyl)-2-methoxypropanoyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[(2R)-2-(2-fluorophenyl)-2-methoxypropanoyl]amino]ethyl carbamate
PubChem CID99797130
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name2-[[(2R)-2-(2-fluorophenyl)-2-methoxypropanoyl]amino]ethyl carbamate
SMILESCO[C@@](C)(C(=O)NCCOC(N)=O)c1ccccc1F
InChIInChI=1S/C13H17FN2O4/c1-13(19-2,9-5-3-4-6-10(9)14)11(17)16-7-8-20-12(15)18/h3-6H,7-8H2,1-2H3,(H2,15,18)(H,16,17)/t13-/m1/s1
InChIKeyIYUKRFZQGSJRSS-CYBMUJFWSA-N
XLogP0.90
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2491225
[2-(Cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate
CID 3230480
[2-(Cyclohexylamino)-1-(3-fluorophenyl)-2-oxoethyl] acetate
CID 3230481
N-cyclooctyl-2-methoxy-2-phenylacetamide
CID 2921709
5-Ethyl-5-phenyloxazolidinedione
CID 115735
Acetic acid cyclohexylcarbamoyl-p-tolyl-methyl ester
CID 651616
[2-[(4-Ethoxy-4-oxobutyl)amino]-2-oxoethyl] 3-fluorobenzoate
CID 2433139
[2-(Cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate
CID 3230486
[1-[2-(Cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2,6-difluorobenzoate
CID 3976873
N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 3452814
3-Methoxy-3-phenyl-2-piperidinone
CID 137300
X 100
CID 19153

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(2-fluorophenyl)-2-methoxypropanoyl]amino]ethyl carbamate?
The IUPAC name of 2-[[(2R)-2-(2-fluorophenyl)-2-methoxypropanoyl]amino]ethyl carbamate (CID 99797130) is 2-[[(2R)-2-(2-fluorophenyl)-2-methoxypropanoyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[(2R)-2-(2-fluorophenyl)-2-methoxypropanoyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[(2R)-2-(2-fluorophenyl)-2-methoxypropanoyl]amino]ethyl carbamate is CO[C@@](C)(C(=O)NCCOC(N)=O)c1ccccc1F.
What is the InChIKey of 2-[[(2R)-2-(2-fluorophenyl)-2-methoxypropanoyl]amino]ethyl carbamate?
The InChIKey is IYUKRFZQGSJRSS-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17FN2O4/c1-13(19-2,9-5-3-4-6-10(9)14)11(17)16-7-8-20-12(15)18/h3-6H,7-8H2,1-2H3,(H2,15,18)(H,16,17)/t13-/m1/s1.
What are the key properties of 2-[[(2R)-2-(2-fluorophenyl)-2-methoxypropanoyl]amino]ethyl carbamate?
2-[[(2R)-2-(2-fluorophenyl)-2-methoxypropanoyl]amino]ethyl carbamate has a molecular weight of 284.29 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(2-fluorophenyl)-2-methoxypropanoyl]amino]ethyl carbamate is sourced from PubChem (CID 99797130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).