[(2S)-3-hydroxy-4-oxo-1-phenyl-4-(propylamino)butan-2-yl]carbamic acid

C14H20N2O4 — CID 90717635

IUPAC[(2S)-3-hydroxy-4-oxo-1-phenyl-4-(propylamino)butan-2-yl]carbamic acid
SMILESCCCNC(=O)C(O)[C@H](Cc1ccccc1)NC(=O)O
InChIInChI=1S/C14H20N2O4/c1-2-8-15-13(18)12(17)11(16-14(19)20)9-10-6-4-3-5-7-10/h3-7,11-12,16-17H,2,8-9H2,1H3,(H,15,18)(H,19,20)/t11-,12?/m0/s1
InChIKeyDOWWEOGNUVTEKA-PXYINDEMSA-N
MW280.32 g/mol
LogP0.75
Rot. Bonds7

About [(2S)-3-hydroxy-4-oxo-1-phenyl-4-(propylamino)butan-2-yl]carbamic acid

[(2S)-3-hydroxy-4-oxo-1-phenyl-4-(propylamino)butan-2-yl]carbamic acid (PubChem CID 90717635) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [(2S)-3-hydroxy-4-oxo-1-phenyl-4-(propylamino)butan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-3-hydroxy-4-oxo-1-phenyl-4-(propylamino)butan-2-yl]carbamic acid
PubChem CID90717635
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[(2S)-3-hydroxy-4-oxo-1-phenyl-4-(propylamino)butan-2-yl]carbamic acid
SMILESCCCNC(=O)C(O)[C@H](Cc1ccccc1)NC(=O)O
InChIInChI=1S/C14H20N2O4/c1-2-8-15-13(18)12(17)11(16-14(19)20)9-10-6-4-3-5-7-10/h3-7,11-12,16-17H,2,8-9H2,1H3,(H,15,18)(H,19,20)/t11-,12?/m0/s1
InChIKeyDOWWEOGNUVTEKA-PXYINDEMSA-N
XLogP0.75
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-hydroxy-4-(methoxymethylamino)-4-oxo-1-phenylbutan-2-yl]carbamic acid
CID 70204739
[(2S)-1-[[(2S)-4-(butylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 91129368
[(2S)-3-hydroxy-4-oxo-1-phenyl-4-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid
CID 91315890
tert-butyl N-[(2S)-4-(butylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
CID 69027551
(2R)-2-benzyl-3-methyl-N-propylbutanamide
CID 143577799
[(2S)-1-(dimethylamino)-1-hydroxy-3-phenylpropan-2-yl]carbamic acid
CID 167060741
[4-(carboxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 19070976
[3-hydroxy-4-[methoxy(methyl)amino]-4-oxo-1-phenylbutan-2-yl]carbamic acid
CID 22593860
methyl 2-[[(3S)-2-hydroxy-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]acetate
CID 101052198
[(2S,3S)-4-ethoxy-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 69072488
(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide
CID 61180741
[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 20638367

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-hydroxy-4-oxo-1-phenyl-4-(propylamino)butan-2-yl]carbamic acid?
The IUPAC name of [(2S)-3-hydroxy-4-oxo-1-phenyl-4-(propylamino)butan-2-yl]carbamic acid (CID 90717635) is [(2S)-3-hydroxy-4-oxo-1-phenyl-4-(propylamino)butan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-3-hydroxy-4-oxo-1-phenyl-4-(propylamino)butan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-3-hydroxy-4-oxo-1-phenyl-4-(propylamino)butan-2-yl]carbamic acid is CCCNC(=O)C(O)[C@H](Cc1ccccc1)NC(=O)O.
What is the InChIKey of [(2S)-3-hydroxy-4-oxo-1-phenyl-4-(propylamino)butan-2-yl]carbamic acid?
The InChIKey is DOWWEOGNUVTEKA-PXYINDEMSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-8-15-13(18)12(17)11(16-14(19)20)9-10-6-4-3-5-7-10/h3-7,11-12,16-17H,2,8-9H2,1H3,(H,15,18)(H,19,20)/t11-,12?/m0/s1.
What are the key properties of [(2S)-3-hydroxy-4-oxo-1-phenyl-4-(propylamino)butan-2-yl]carbamic acid?
[(2S)-3-hydroxy-4-oxo-1-phenyl-4-(propylamino)butan-2-yl]carbamic acid has a molecular weight of 280.32 g/mol, XLogP of 0.75, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-hydroxy-4-oxo-1-phenyl-4-(propylamino)butan-2-yl]carbamic acid is sourced from PubChem (CID 90717635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).