methyl (3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

C16H22FNO5 — CID 126734031

IUPACmethyl (3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCOC(=O)C(O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1F
InChIInChI=1S/C16H22FNO5/c1-15(2,3)23-14(21)18-16(4,12(19)13(20)22-5)10-8-6-7-9-11(10)17/h6-9,12,19H,1-5H3,(H,18,21)/t12?,16-/m1/s1
InChIKeyDXJFWGZKYJWINB-PVQCJRHBSA-N
MW327.35 g/mol
LogP2.10
Rot. Bonds4

About methyl (3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

methyl (3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (PubChem CID 126734031) has the molecular formula C16H22FNO5 and a molecular weight of 327.35 g/mol. Its IUPAC name is methyl (3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
PubChem CID126734031
Molecular FormulaC16H22FNO5
Molecular Weight327.35 g/mol
Exact Mass327.15
IUPAC Namemethyl (3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCOC(=O)C(O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1F
InChIInChI=1S/C16H22FNO5/c1-15(2,3)23-14(21)18-16(4,12(19)13(20)22-5)10-8-6-7-9-11(10)17/h6-9,12,19H,1-5H3,(H,18,21)/t12?,16-/m1/s1
InChIKeyDXJFWGZKYJWINB-PVQCJRHBSA-N
XLogP2.10
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate 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

ethyl (2R,3R)-2-fluoro-3-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 126693356
tert-butyl N-[(2R,3S)-5,5-dicyano-2-(2-fluorophenyl)-3-methoxyhexan-2-yl]carbamate
CID 126733632
tert-butyl N-[(2R)-3,3-difluoro-2-(2-fluorophenyl)-4-oxobutan-2-yl]carbamate
CID 140946098
tert-butyl N-[(2R)-5-cyano-2-(2-fluorophenyl)-3-methoxy-5-methylsulfonylpentan-2-yl]carbamate
CID 126733566
tert-butyl N-[(2R)-5-cyano-2-(2-fluorophenyl)-3-methoxy-5-methylsulfonylhexan-2-yl]carbamate
CID 126733567
methyl (2S)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 90119449
methyl 2-amino-3,3-difluoro-3-(2-fluorophenyl)propanoate
CID 105492147
tert-butyl N-[2-(6-chloro-2-pyridinyl)-1-(2-fluorophenyl)-1-hydroxypropan-2-yl]carbamate
CID 87765535
[1-(2-fluorophenyl)-1-methoxyethyl]carbamic acid
CID 66877184
(2R,3S)-3-(2-fluorophenyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7176465
tert-butyl N-[(2S)-5-cyano-5-ethylsulfonyl-6-fluoro-2-(2-fluorophenyl)hexan-2-yl]carbamate
CID 162462200
cyanomethyl-[3,3-difluoro-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamic acid
CID 123263747

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The IUPAC name of methyl (3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (CID 126734031) is methyl (3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
What is the SMILES notation for methyl (3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The canonical SMILES for methyl (3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is COC(=O)C(O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1F.
What is the InChIKey of methyl (3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The InChIKey is DXJFWGZKYJWINB-PVQCJRHBSA-N. The full InChI is InChI=1S/C16H22FNO5/c1-15(2,3)23-14(21)18-16(4,12(19)13(20)22-5)10-8-6-7-9-11(10)17/h6-9,12,19H,1-5H3,(H,18,21)/t12?,16-/m1/s1.
What are the key properties of methyl (3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
methyl (3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate has a molecular weight of 327.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is sourced from PubChem (CID 126734031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).