2,3-dihydroxy-N-phenylpropanamide;hydrate

C9H13NO4 — CID 141005572

IUPAC2,3-dihydroxy-N-phenylpropanamide;hydrate
SMILESO.O=C(Nc1ccccc1)C(O)CO
InChIInChI=1S/C9H11NO3.H2O/c11-6-8(12)9(13)10-7-4-2-1-3-5-7;/h1-5,8,11-12H,6H2,(H,10,13);1H2
InChIKeyKDTCXZRXOIXRJY-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.85
Rot. Bonds3

About 2,3-dihydroxy-N-phenylpropanamide;hydrate

2,3-dihydroxy-N-phenylpropanamide;hydrate (PubChem CID 141005572) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2,3-dihydroxy-N-phenylpropanamide;hydrate.

Molecular Properties

Compound Name2,3-dihydroxy-N-phenylpropanamide;hydrate
PubChem CID141005572
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name2,3-dihydroxy-N-phenylpropanamide;hydrate
SMILESO.O=C(Nc1ccccc1)C(O)CO
InChIInChI=1S/C9H11NO3.H2O/c11-6-8(12)9(13)10-7-4-2-1-3-5-7;/h1-5,8,11-12H,6H2,(H,10,13);1H2
InChIKeyKDTCXZRXOIXRJY-UHFFFAOYSA-N
XLogP-0.85
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-amino-2-hydroxy-N-phenylpropanamide
CID 91043258
(2R,3R,4R)-2,3,4,5-tetrahydroxy-N-phenylpentanamide
CID 54295332
(2S,3R,4R,5R,6R)-2,3,4,5,6,7-hexahydroxy-N-phenylheptanamide
CID 7921985
hexane-1,2,3,4,5,6-hexol;phenylcarbamic acid
CID 54607151
2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide
CID 43499919
(2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-N-phenylpropanamide
CID 124595607
2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide
CID 113426304
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide
CID 79248901
2,4-dihydroxy-N-phenyldodecanamide
CID 91612582
3-hydroxy-2-(2-hydroxyethylsulfanyl)-N-phenylbutanamide
CID 71370012
(2R)-2-amino-N-phenylpropanamide
CID 10607114
2,4-diacetyl-N,N'-diphenylpentanediamide
CID 5218868

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-phenylpropanamide;hydrate?
The IUPAC name of 2,3-dihydroxy-N-phenylpropanamide;hydrate (CID 141005572) is 2,3-dihydroxy-N-phenylpropanamide;hydrate.
What is the SMILES notation for 2,3-dihydroxy-N-phenylpropanamide;hydrate?
The canonical SMILES for 2,3-dihydroxy-N-phenylpropanamide;hydrate is O.O=C(Nc1ccccc1)C(O)CO.
What is the InChIKey of 2,3-dihydroxy-N-phenylpropanamide;hydrate?
The InChIKey is KDTCXZRXOIXRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.H2O/c11-6-8(12)9(13)10-7-4-2-1-3-5-7;/h1-5,8,11-12H,6H2,(H,10,13);1H2.
What are the key properties of 2,3-dihydroxy-N-phenylpropanamide;hydrate?
2,3-dihydroxy-N-phenylpropanamide;hydrate has a molecular weight of 199.21 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-phenylpropanamide;hydrate is sourced from PubChem (CID 141005572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).