methyl (2S)-2-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]propanoate

C14H19NO4 — CID 101200785

IUPACmethyl (2S)-2-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)[C@H](O)CCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-10(14(18)19-2)15-13(17)12(16)9-8-11-6-4-3-5-7-11/h3-7,10,12,16H,8-9H2,1-2H3,(H,15,17)/t10-,12+/m0/s1
InChIKeyFKEKGBZLWQOOJB-CMPLNLGQSA-N
MW265.31 g/mol
LogP0.66
Rot. Bonds6

About methyl (2S)-2-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]propanoate

methyl (2S)-2-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]propanoate (PubChem CID 101200785) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl (2S)-2-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]propanoate
PubChem CID101200785
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl (2S)-2-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)[C@H](O)CCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-10(14(18)19-2)15-13(17)12(16)9-8-11-6-4-3-5-7-11/h3-7,10,12,16H,8-9H2,1-2H3,(H,15,17)/t10-,12+/m0/s1
InChIKeyFKEKGBZLWQOOJB-CMPLNLGQSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
N,2-dihydroxy-4-phenylbutanamide
CID 11458241
methyl 4-methyl-3-oxo-2-(2-phenylethyl)pentanoate
CID 18370896
(3R)-3-methoxycarbonyl-5-phenylpentanoic acid
CID 18652850
2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid
CID 22042507
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248
methyl 2-[[3-phenyl-2-(6-phenylhexanoylamino)propanoyl]amino]propanoate
CID 123314292
methyl (2S)-2-(chloroamino)-4-phenylbutanoate
CID 121299211

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]propanoate (CID 101200785) is methyl (2S)-2-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]propanoate is COC(=O)[C@H](C)NC(=O)[C@H](O)CCc1ccccc1.
What is the InChIKey of methyl (2S)-2-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]propanoate?
The InChIKey is FKEKGBZLWQOOJB-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(14(18)19-2)15-13(17)12(16)9-8-11-6-4-3-5-7-11/h3-7,10,12,16H,8-9H2,1-2H3,(H,15,17)/t10-,12+/m0/s1.
What are the key properties of methyl (2S)-2-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]propanoate?
methyl (2S)-2-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]propanoate has a molecular weight of 265.31 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]propanoate is sourced from PubChem (CID 101200785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).