(2S)-2-benzyl-2,3-dihydroxypropanamide

C10H13NO3 — CID 67629888

IUPAC(2S)-2-benzyl-2,3-dihydroxypropanamide
SMILESNC(=O)[C@@](O)(CO)Cc1ccccc1
InChIInChI=1S/C10H13NO3/c11-9(13)10(14,7-12)6-8-4-2-1-3-5-8/h1-5,12,14H,6-7H2,(H2,11,13)/t10-/m0/s1
InChIKeyZTKIXTSIKHSMLZ-JTQLQIEISA-N
MW195.22 g/mol
LogP-0.56
Rot. Bonds4

About (2S)-2-benzyl-2,3-dihydroxypropanamide

(2S)-2-benzyl-2,3-dihydroxypropanamide (PubChem CID 67629888) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2S)-2-benzyl-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name(2S)-2-benzyl-2,3-dihydroxypropanamide
PubChem CID67629888
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2S)-2-benzyl-2,3-dihydroxypropanamide
SMILESNC(=O)[C@@](O)(CO)Cc1ccccc1
InChIInChI=1S/C10H13NO3/c11-9(13)10(14,7-12)6-8-4-2-1-3-5-8/h1-5,12,14H,6-7H2,(H2,11,13)/t10-/m0/s1
InChIKeyZTKIXTSIKHSMLZ-JTQLQIEISA-N
XLogP-0.56
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
2,2-dichloro-3-phenylpropanamide
CID 21425793
(2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide
CID 135070263
(2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid
CID 66992934
(2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid
CID 62705603
2-benzyl-2-hydroxybutanoic acid
CID 22013212
(2R,3S,4R,5R)-2-benzyl-2,3,4,5,6-pentahydroxyhexanamide
CID 149252911
2-benzyl-2-propylpropanediamide
CID 131715569
dibenzyl (2R)-2-benzyl-2-hydroxybutanedioate
CID 102160237
(1,1,1-trichloro-2-hydroxy-3-phenylpropan-2-yl) carbamate
CID 175549972
(2-phenylacetyl) 2-benzyl-2-hydroxy-3-phenylpropanoate
CID 88805859
4-hydroxy-4-methyl-5-phenylpentan-2-one
CID 121010182

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-2,3-dihydroxypropanamide?
The IUPAC name of (2S)-2-benzyl-2,3-dihydroxypropanamide (CID 67629888) is (2S)-2-benzyl-2,3-dihydroxypropanamide.
What is the SMILES notation for (2S)-2-benzyl-2,3-dihydroxypropanamide?
The canonical SMILES for (2S)-2-benzyl-2,3-dihydroxypropanamide is NC(=O)[C@@](O)(CO)Cc1ccccc1.
What is the InChIKey of (2S)-2-benzyl-2,3-dihydroxypropanamide?
The InChIKey is ZTKIXTSIKHSMLZ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13NO3/c11-9(13)10(14,7-12)6-8-4-2-1-3-5-8/h1-5,12,14H,6-7H2,(H2,11,13)/t10-/m0/s1.
What are the key properties of (2S)-2-benzyl-2,3-dihydroxypropanamide?
(2S)-2-benzyl-2,3-dihydroxypropanamide has a molecular weight of 195.22 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-2,3-dihydroxypropanamide is sourced from PubChem (CID 67629888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).