[(2S)-1-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]propan-2-yl]carbamic acid

C16H24N2O5 — CID 141462729

IUPAC[(2S)-1-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]propan-2-yl]carbamic acid
SMILESCC(C)(CCc1ccccc1)OC(=O)NC[C@@H](CO)NC(=O)O
InChIInChI=1S/C16H24N2O5/c1-16(2,9-8-12-6-4-3-5-7-12)23-15(22)17-10-13(11-19)18-14(20)21/h3-7,13,18-19H,8-11H2,1-2H3,(H,17,22)(H,20,21)/t13-/m0/s1
InChIKeyUUVVLURVNTZVBH-ZDUSSCGKSA-N
MW324.38 g/mol
LogP1.75
Rot. Bonds8

About [(2S)-1-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]propan-2-yl]carbamic acid

[(2S)-1-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]propan-2-yl]carbamic acid (PubChem CID 141462729) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is [(2S)-1-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]propan-2-yl]carbamic acid
PubChem CID141462729
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name[(2S)-1-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]propan-2-yl]carbamic acid
SMILESCC(C)(CCc1ccccc1)OC(=O)NC[C@@H](CO)NC(=O)O
InChIInChI=1S/C16H24N2O5/c1-16(2,9-8-12-6-4-3-5-7-12)23-15(22)17-10-13(11-19)18-14(20)21/h3-7,13,18-19H,8-11H2,1-2H3,(H,17,22)(H,20,21)/t13-/m0/s1
InChIKeyUUVVLURVNTZVBH-ZDUSSCGKSA-N
XLogP1.75
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

[1-hydroxy-6-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid
CID 176912718
bis(2-methyl-4-phenylbutan-2-yl) oxalate
CID 163946478
tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate
CID 107862352
(2-methyl-5-phenylpentan-2-yl) benzoate
CID 118040368
(3-hydroperoxy-3-methylbutyl)benzene
CID 12643770
tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 14136105
(2-methyl-5-phenylpentan-2-yl) hydrogen carbonate
CID 150202343
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]pentan-2-yl]carbamate
CID 163992812
methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-phenylbutanoate
CID 156758863
tert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate
CID 107251008
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]propan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]propan-2-yl]carbamic acid (CID 141462729) is [(2S)-1-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]propan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]propan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]propan-2-yl]carbamic acid is CC(C)(CCc1ccccc1)OC(=O)NC[C@@H](CO)NC(=O)O.
What is the InChIKey of [(2S)-1-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]propan-2-yl]carbamic acid?
The InChIKey is UUVVLURVNTZVBH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-16(2,9-8-12-6-4-3-5-7-12)23-15(22)17-10-13(11-19)18-14(20)21/h3-7,13,18-19H,8-11H2,1-2H3,(H,17,22)(H,20,21)/t13-/m0/s1.
What are the key properties of [(2S)-1-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]propan-2-yl]carbamic acid?
[(2S)-1-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]propan-2-yl]carbamic acid has a molecular weight of 324.38 g/mol, XLogP of 1.75, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]propan-2-yl]carbamic acid is sourced from PubChem (CID 141462729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).