(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide

C13H19NO2 — CID 131853954

IUPAC(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
SMILESCC(C)[C@H](O)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-9(2)12(15)13(16)14-10(3)11-7-5-4-6-8-11/h4-10,12,15H,1-3H3,(H,14,16)/t10-,12+/m1/s1
InChIKeyVZLVJAVBXSDGQF-PWSUYJOCSA-N
MW221.30 g/mol
LogP1.88
Rot. Bonds4

About (2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide

(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide (PubChem CID 131853954) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
PubChem CID131853954
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
SMILESCC(C)[C@H](O)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-9(2)12(15)13(16)14-10(3)11-7-5-4-6-8-11/h4-10,12,15H,1-3H3,(H,14,16)/t10-,12+/m1/s1
InChIKeyVZLVJAVBXSDGQF-PWSUYJOCSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide
CID 63870086
(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743
2-(methylamino)-N-[(1R)-1-phenylethyl]propanamide
CID 78953244
(2S)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10330656
2-benzyl-N,N'-bis(1-phenylethyl)propanediamide
CID 3756499
(2R)-2-(iodoamino)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 88940035
(2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 7945468
2-(methylamino)-2-phenyl-N-(1-phenylethyl)acetamide
CID 12739398

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide?
The IUPAC name of (2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide (CID 131853954) is (2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide.
What is the SMILES notation for (2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide?
The canonical SMILES for (2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide is CC(C)[C@H](O)C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide?
The InChIKey is VZLVJAVBXSDGQF-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)12(15)13(16)14-10(3)11-7-5-4-6-8-11/h4-10,12,15H,1-3H3,(H,14,16)/t10-,12+/m1/s1.
What are the key properties of (2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide?
(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide has a molecular weight of 221.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide is sourced from PubChem (CID 131853954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).