butan-2-yl (2R)-2-benzamido-3-hydroxypropanoate

C14H19NO4 — CID 101068165

IUPACbutan-2-yl (2R)-2-benzamido-3-hydroxypropanoate
SMILESCCC(C)OC(=O)[C@@H](CO)NC(=O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-3-10(2)19-14(18)12(9-16)15-13(17)11-7-5-4-6-8-11/h4-8,10,12,16H,3,9H2,1-2H3,(H,15,17)/t10?,12-/m1/s1
InChIKeyKBVXGKQTCOUMES-TVKKRMFBSA-N
MW265.31 g/mol
LogP1.12
Rot. Bonds6

About butan-2-yl (2R)-2-benzamido-3-hydroxypropanoate

butan-2-yl (2R)-2-benzamido-3-hydroxypropanoate (PubChem CID 101068165) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is butan-2-yl (2R)-2-benzamido-3-hydroxypropanoate.

Molecular Properties

Compound Namebutan-2-yl (2R)-2-benzamido-3-hydroxypropanoate
PubChem CID101068165
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namebutan-2-yl (2R)-2-benzamido-3-hydroxypropanoate
SMILESCCC(C)OC(=O)[C@@H](CO)NC(=O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-3-10(2)19-14(18)12(9-16)15-13(17)11-7-5-4-6-8-11/h4-8,10,12,16H,3,9H2,1-2H3,(H,15,17)/t10?,12-/m1/s1
InChIKeyKBVXGKQTCOUMES-TVKKRMFBSA-N
XLogP1.12
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

butan-2-yl (2S)-2-benzamido-3-hydroxypropanoate
CID 101068168
1-hydroxypropan-2-yl 2-benzamido-3,5-dimethylheptanoate
CID 123532457
[(E)-6-[(2S)-2-benzamido-3-hydroxypropanoyl]oxyhex-3-enyl] (2S)-2-benzamido-3-hydroxypropanoate
CID 101142290
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
[(2S)-butan-2-yl] (2S)-2-acetamido-3-phenylpropanoate
CID 90680450
benzyl (2S)-3-hydroxy-2-[(4-propan-2-yloxybenzoyl)amino]propanoate
CID 46201346
ethyl 2-benzamido-4-methylpentanoate
CID 12773376
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
(3R)-3-benzamido-4-methoxy-4-oxobutanoic acid
CID 124500287
(3-methylquinoxalin-2-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate
CID 51966253
methyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate
CID 9277490
N-(4-hydroxy-3-methylbutan-2-yl)benzamide
CID 112700980

Frequently Asked Questions

What is the IUPAC name of butan-2-yl (2R)-2-benzamido-3-hydroxypropanoate?
The IUPAC name of butan-2-yl (2R)-2-benzamido-3-hydroxypropanoate (CID 101068165) is butan-2-yl (2R)-2-benzamido-3-hydroxypropanoate.
What is the SMILES notation for butan-2-yl (2R)-2-benzamido-3-hydroxypropanoate?
The canonical SMILES for butan-2-yl (2R)-2-benzamido-3-hydroxypropanoate is CCC(C)OC(=O)[C@@H](CO)NC(=O)c1ccccc1.
What is the InChIKey of butan-2-yl (2R)-2-benzamido-3-hydroxypropanoate?
The InChIKey is KBVXGKQTCOUMES-TVKKRMFBSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-10(2)19-14(18)12(9-16)15-13(17)11-7-5-4-6-8-11/h4-8,10,12,16H,3,9H2,1-2H3,(H,15,17)/t10?,12-/m1/s1.
What are the key properties of butan-2-yl (2R)-2-benzamido-3-hydroxypropanoate?
butan-2-yl (2R)-2-benzamido-3-hydroxypropanoate has a molecular weight of 265.31 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl (2R)-2-benzamido-3-hydroxypropanoate is sourced from PubChem (CID 101068165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).