methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate

C12H14FNO3 — CID 95575620

IUPACmethyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate
SMILESCOC(=O)C[C@@H](C)NC(=O)c1ccccc1F
InChIInChI=1S/C12H14FNO3/c1-8(7-11(15)17-2)14-12(16)9-5-3-4-6-10(9)13/h3-6,8H,7H2,1-2H3,(H,14,16)/t8-/m1/s1
InChIKeyDFEPUMYUOJIUCS-MRVPVSSYSA-N
MW239.25 g/mol
LogP1.51
Rot. Bonds4

About methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate

methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate (PubChem CID 95575620) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate
PubChem CID95575620
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Namemethyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate
SMILESCOC(=O)C[C@@H](C)NC(=O)c1ccccc1F
InChIInChI=1S/C12H14FNO3/c1-8(7-11(15)17-2)14-12(16)9-5-3-4-6-10(9)13/h3-6,8H,7H2,1-2H3,(H,14,16)/t8-/m1/s1
InChIKeyDFEPUMYUOJIUCS-MRVPVSSYSA-N
XLogP1.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 3729415
methyl 3-benzamidobutanoate
CID 10857046
2-fluoro-N-(1-phenoxypropan-2-yl)benzamide
CID 117061953
N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide
CID 115662245
5-[(2-fluorobenzoyl)amino]hexanoic acid
CID 82855274
methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate
CID 60645470
6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid
CID 65286202
methyl (3R)-3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate
CID 40856393
N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 51891666
methyl (3S)-3-[(4-fluoro-1H-indole-2-carbonyl)amino]butanoate
CID 95933772
methyl 3-[(2,5-dihydroxybenzoyl)amino]butanoate
CID 113347091
N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide
CID 3713730

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate?
The IUPAC name of methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate (CID 95575620) is methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate.
What is the SMILES notation for methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate?
The canonical SMILES for methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate is COC(=O)C[C@@H](C)NC(=O)c1ccccc1F.
What is the InChIKey of methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate?
The InChIKey is DFEPUMYUOJIUCS-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-8(7-11(15)17-2)14-12(16)9-5-3-4-6-10(9)13/h3-6,8H,7H2,1-2H3,(H,14,16)/t8-/m1/s1.
What are the key properties of methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate?
methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate has a molecular weight of 239.25 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate is sourced from PubChem (CID 95575620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).