2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide

C14H22N2O4S — CID 107860995

IUPAC2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C14H22N2O4S/c1-21(19,20)8-7-13(15)14(18)16-12(10-17)9-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10,15H2,1H3,(H,16,18)/t12-,13?/m1/s1
InChIKeyLQAGNFOVKXSRJA-PZORYLMUSA-N
MW314.41 g/mol
LogP-0.53
Rot. Bonds8

About 2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide

2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide (PubChem CID 107860995) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide
PubChem CID107860995
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C14H22N2O4S/c1-21(19,20)8-7-13(15)14(18)16-12(10-17)9-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10,15H2,1H3,(H,16,18)/t12-,13?/m1/s1
InChIKeyLQAGNFOVKXSRJA-PZORYLMUSA-N
XLogP-0.53
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide
CID 63261191
(3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 18341314
(2R)-2-benzyl-N-[(2S)-1-hydroxy-4-methylsulfonylbutan-2-yl]-3-sulfanylpropanamide
CID 56625140
2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 107861017
benzyl (2S)-2-amino-4-methylsulfonylbutanoate
CID 22869170
2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide
CID 24699634
(2R)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 79013366
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55168250
2-(3-methylsulfonylpropylamino)-3-phenylpropan-1-ol
CID 55168818
(2S)-2-amino-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-phenylpropanamide
CID 12800380
(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid
CID 80750444

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide (CID 107860995) is 2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide is CS(=O)(=O)CCC(N)C(=O)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of 2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide?
The InChIKey is LQAGNFOVKXSRJA-PZORYLMUSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-21(19,20)8-7-13(15)14(18)16-12(10-17)9-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10,15H2,1H3,(H,16,18)/t12-,13?/m1/s1.
What are the key properties of 2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide?
2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide has a molecular weight of 314.41 g/mol, XLogP of -0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 107860995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).