[(3S)-3-(2-fluorophenyl)-5-methoxy-2-methylpentan-2-yl] carbamate

C14H20FNO3 — CID 174774354

IUPAC[(3S)-3-(2-fluorophenyl)-5-methoxy-2-methylpentan-2-yl] carbamate
SMILESCOCC[C@@H](c1ccccc1F)C(C)(C)OC(N)=O
InChIInChI=1S/C14H20FNO3/c1-14(2,19-13(16)17)11(8-9-18-3)10-6-4-5-7-12(10)15/h4-7,11H,8-9H2,1-3H3,(H2,16,17)/t11-/m0/s1
InChIKeyNRLSVRUBGXHZDR-NSHDSACASA-N
MW269.32 g/mol
LogP2.82
Rot. Bonds6

About [(3S)-3-(2-fluorophenyl)-5-methoxy-2-methylpentan-2-yl] carbamate

[(3S)-3-(2-fluorophenyl)-5-methoxy-2-methylpentan-2-yl] carbamate (PubChem CID 174774354) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is [(3S)-3-(2-fluorophenyl)-5-methoxy-2-methylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[(3S)-3-(2-fluorophenyl)-5-methoxy-2-methylpentan-2-yl] carbamate
PubChem CID174774354
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name[(3S)-3-(2-fluorophenyl)-5-methoxy-2-methylpentan-2-yl] carbamate
SMILESCOCC[C@@H](c1ccccc1F)C(C)(C)OC(N)=O
InChIInChI=1S/C14H20FNO3/c1-14(2,19-13(16)17)11(8-9-18-3)10-6-4-5-7-12(10)15/h4-7,11H,8-9H2,1-3H3,(H2,16,17)/t11-/m0/s1
InChIKeyNRLSVRUBGXHZDR-NSHDSACASA-N
XLogP2.82
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S)-3-(2-fluorophenyl)-5-methoxy-2-methylpentan-2-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-1-(2-fluorophenyl)-3-methoxypropyl] carbamate
CID 175407135
[3-amino-3-(2-fluorophenyl)propyl] carbamate;methane
CID 158668291
[(1S,2S)-2-[(1S)-1-(2-fluorophenyl)-3-methoxypropyl]cyclopropyl] carbamate
CID 174774237
[1-(2-fluorophenyl)-1-(methoxymethoxy)ethyl] carbamate
CID 175407056
methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate
CID 43225088
methyl 2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate
CID 81380721
2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol
CID 79448650
3-(2-fluorophenyl)-4-methoxybutan-1-amine
CID 115021065
1-(2-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]ethanol
CID 115609445
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
1-(2-fluorophenyl)-2-methoxy-2-methylpropan-1-ol
CID 79198458
methyl 2-(2-fluorophenyl)-3-hydroxypropanoate
CID 117244488

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-fluorophenyl)-5-methoxy-2-methylpentan-2-yl] carbamate?
The IUPAC name of [(3S)-3-(2-fluorophenyl)-5-methoxy-2-methylpentan-2-yl] carbamate (CID 174774354) is [(3S)-3-(2-fluorophenyl)-5-methoxy-2-methylpentan-2-yl] carbamate.
What is the SMILES notation for [(3S)-3-(2-fluorophenyl)-5-methoxy-2-methylpentan-2-yl] carbamate?
The canonical SMILES for [(3S)-3-(2-fluorophenyl)-5-methoxy-2-methylpentan-2-yl] carbamate is COCC[C@@H](c1ccccc1F)C(C)(C)OC(N)=O.
What is the InChIKey of [(3S)-3-(2-fluorophenyl)-5-methoxy-2-methylpentan-2-yl] carbamate?
The InChIKey is NRLSVRUBGXHZDR-NSHDSACASA-N. The full InChI is InChI=1S/C14H20FNO3/c1-14(2,19-13(16)17)11(8-9-18-3)10-6-4-5-7-12(10)15/h4-7,11H,8-9H2,1-3H3,(H2,16,17)/t11-/m0/s1.
What are the key properties of [(3S)-3-(2-fluorophenyl)-5-methoxy-2-methylpentan-2-yl] carbamate?
[(3S)-3-(2-fluorophenyl)-5-methoxy-2-methylpentan-2-yl] carbamate has a molecular weight of 269.32 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-fluorophenyl)-5-methoxy-2-methylpentan-2-yl] carbamate is sourced from PubChem (CID 174774354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).