benzyl 2-benzamido-3-hydroxybutanoate

C18H19NO4 — CID 14420261

IUPACbenzyl 2-benzamido-3-hydroxybutanoate
SMILESCC(O)C(NC(=O)c1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C18H19NO4/c1-13(20)16(19-17(21)15-10-6-3-7-11-15)18(22)23-12-14-8-4-2-5-9-14/h2-11,13,16,20H,12H2,1H3,(H,19,21)
InChIKeyXFGHXHBCUMDRSK-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.91
Rot. Bonds6

About benzyl 2-benzamido-3-hydroxybutanoate

benzyl 2-benzamido-3-hydroxybutanoate (PubChem CID 14420261) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is benzyl 2-benzamido-3-hydroxybutanoate.

Molecular Properties

Compound Namebenzyl 2-benzamido-3-hydroxybutanoate
PubChem CID14420261
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namebenzyl 2-benzamido-3-hydroxybutanoate
SMILESCC(O)C(NC(=O)c1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C18H19NO4/c1-13(20)16(19-17(21)15-10-6-3-7-11-15)18(22)23-12-14-8-4-2-5-9-14/h2-11,13,16,20H,12H2,1H3,(H,19,21)
InChIKeyXFGHXHBCUMDRSK-UHFFFAOYSA-N
XLogP1.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S)-2-benzamido-3-methylbutanoate
CID 689908
benzyl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate
CID 6711148
butyl (2S,3R)-2-benzamido-3-hydroxybutanoate
CID 101068173
benzyl (2S)-2-[(4-bromobenzoyl)amino]-3-methylbutanoate
CID 8879997
benzyl (2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]butanoate
CID 11827004
benzyl 4-amino-5-[(3-hydroxy-1-oxo-1-phenylmethoxybutan-2-yl)amino]-5-oxopentanoate
CID 174940373
benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate
CID 102178448
dibenzyl (2S)-2-benzamidobutanedioate
CID 14420333
3-hydroxy-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid
CID 43238754
benzyl 2-[[(2S,3S)-2-benzamido-3-methylpentanoyl]amino]acetate
CID 7613309
methyl (2S,3R)-2-benzamido-3-hydroxy-7-phenylmethoxyheptanoate
CID 11361143
benzyl 4-amino-2-benzamido-4-oxobutanoate
CID 14420399

Frequently Asked Questions

What is the IUPAC name of benzyl 2-benzamido-3-hydroxybutanoate?
The IUPAC name of benzyl 2-benzamido-3-hydroxybutanoate (CID 14420261) is benzyl 2-benzamido-3-hydroxybutanoate.
What is the SMILES notation for benzyl 2-benzamido-3-hydroxybutanoate?
The canonical SMILES for benzyl 2-benzamido-3-hydroxybutanoate is CC(O)C(NC(=O)c1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-benzamido-3-hydroxybutanoate?
The InChIKey is XFGHXHBCUMDRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-13(20)16(19-17(21)15-10-6-3-7-11-15)18(22)23-12-14-8-4-2-5-9-14/h2-11,13,16,20H,12H2,1H3,(H,19,21).
What are the key properties of benzyl 2-benzamido-3-hydroxybutanoate?
benzyl 2-benzamido-3-hydroxybutanoate has a molecular weight of 313.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-benzamido-3-hydroxybutanoate is sourced from PubChem (CID 14420261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).