(2S,3R)-2-amino-3-hydroxy-N-oxo-5-phenylpentanamide

C11H14N2O3 — CID 170035397

IUPAC(2S,3R)-2-amino-3-hydroxy-N-oxo-5-phenylpentanamide
SMILESN[C@H](C(=O)N=O)[C@H](O)CCc1ccccc1
InChIInChI=1S/C11H14N2O3/c12-10(11(15)13-16)9(14)7-6-8-4-2-1-3-5-8/h1-5,9-10,14H,6-7,12H2/t9-,10+/m1/s1
InChIKeyBAZHRMGGJXCKJT-ZJUUUORDSA-N
MW222.24 g/mol
LogP0.60
Rot. Bonds5

About (2S,3R)-2-amino-3-hydroxy-N-oxo-5-phenylpentanamide

(2S,3R)-2-amino-3-hydroxy-N-oxo-5-phenylpentanamide (PubChem CID 170035397) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-hydroxy-N-oxo-5-phenylpentanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-hydroxy-N-oxo-5-phenylpentanamide
PubChem CID170035397
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(2S,3R)-2-amino-3-hydroxy-N-oxo-5-phenylpentanamide
SMILESN[C@H](C(=O)N=O)[C@H](O)CCc1ccccc1
InChIInChI=1S/C11H14N2O3/c12-10(11(15)13-16)9(14)7-6-8-4-2-1-3-5-8/h1-5,9-10,14H,6-7,12H2/t9-,10+/m1/s1
InChIKeyBAZHRMGGJXCKJT-ZJUUUORDSA-N
XLogP0.60
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
butyl 2-amino-3-hydroxy-5-phenylpentanoate
CID 152627714
3-amino-2-hydroxy-5-phenylpentanoic acid
CID 22182665
(2S)-2-amino-3-(2-phenylethyl)butanedioic acid
CID 58900334
(2S,3S)-2-amino-3-(2-phenylethyl)butanedioic acid
CID 11218609
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
2,3-dihydroxy-1,5-diphenylpentan-1-one
CID 12776717
benzyl N-[(2R)-1-amino-2-hydroxy-4-phenylbutyl]carbamate
CID 56996199
benzyl (2S,3S)-3-hydroxy-2-methyl-5-phenylpentanoate
CID 102173872
2-(2-phenylethyl)propanediamide
CID 66660020
carbamic acid;4-phenylbutane-1,2-diamine
CID 70126726
2-amino-4-phenyl-N-phenylmethoxybutanamide
CID 76637297

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-hydroxy-N-oxo-5-phenylpentanamide?
The IUPAC name of (2S,3R)-2-amino-3-hydroxy-N-oxo-5-phenylpentanamide (CID 170035397) is (2S,3R)-2-amino-3-hydroxy-N-oxo-5-phenylpentanamide.
What is the SMILES notation for (2S,3R)-2-amino-3-hydroxy-N-oxo-5-phenylpentanamide?
The canonical SMILES for (2S,3R)-2-amino-3-hydroxy-N-oxo-5-phenylpentanamide is N[C@H](C(=O)N=O)[C@H](O)CCc1ccccc1.
What is the InChIKey of (2S,3R)-2-amino-3-hydroxy-N-oxo-5-phenylpentanamide?
The InChIKey is BAZHRMGGJXCKJT-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-10(11(15)13-16)9(14)7-6-8-4-2-1-3-5-8/h1-5,9-10,14H,6-7,12H2/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-hydroxy-N-oxo-5-phenylpentanamide?
(2S,3R)-2-amino-3-hydroxy-N-oxo-5-phenylpentanamide has a molecular weight of 222.24 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-hydroxy-N-oxo-5-phenylpentanamide is sourced from PubChem (CID 170035397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).