[(2S)-1-hydroxy-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutan-2-yl]carbamic acid

C15H23NO4 — CID 69102654

IUPAC[(2S)-1-hydroxy-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutan-2-yl]carbamic acid
SMILESCOc1ccc(C[C@](CO)(NC(=O)O)C(C)(C)C)cc1
InChIInChI=1S/C15H23NO4/c1-14(2,3)15(10-17,16-13(18)19)9-11-5-7-12(20-4)8-6-11/h5-8,16-17H,9-10H2,1-4H3,(H,18,19)/t15-/m1/s1
InChIKeyMXDULEVHAREIFU-OAHLLOKOSA-N
MW281.35 g/mol
LogP2.28
Rot. Bonds5

About [(2S)-1-hydroxy-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutan-2-yl]carbamic acid

[(2S)-1-hydroxy-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutan-2-yl]carbamic acid (PubChem CID 69102654) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is [(2S)-1-hydroxy-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-hydroxy-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutan-2-yl]carbamic acid
PubChem CID69102654
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name[(2S)-1-hydroxy-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutan-2-yl]carbamic acid
SMILESCOc1ccc(C[C@](CO)(NC(=O)O)C(C)(C)C)cc1
InChIInChI=1S/C15H23NO4/c1-14(2,3)15(10-17,16-13(18)19)9-11-5-7-12(20-4)8-6-11/h5-8,16-17H,9-10H2,1-4H3,(H,18,19)/t15-/m1/s1
InChIKeyMXDULEVHAREIFU-OAHLLOKOSA-N
XLogP2.28
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-hydroxy-3,3-dimethyl-2-(pyridin-4-ylmethyl)butan-2-yl]carbamic acid
CID 69107403
N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]benzamide
CID 2270387
2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 79015562
3-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 131843624
2-amino-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 22961263
2-[(4-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]propanedioic acid
CID 58403888
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 66750831
3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 67840542
2-[(4-methoxyphenyl)methyl]-2-(methylamino)propane-1,3-diol
CID 121015626
N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 43390565
[2-(hydroxymethyl)-3-(4-methoxyphenyl)-2-methylpropyl] acetate
CID 101271148
3-benzyl-4-(4-methoxyphenyl)-3-methylbutanoic acid
CID 18624156

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-hydroxy-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-hydroxy-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutan-2-yl]carbamic acid (CID 69102654) is [(2S)-1-hydroxy-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-hydroxy-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-hydroxy-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutan-2-yl]carbamic acid is COc1ccc(C[C@](CO)(NC(=O)O)C(C)(C)C)cc1.
What is the InChIKey of [(2S)-1-hydroxy-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutan-2-yl]carbamic acid?
The InChIKey is MXDULEVHAREIFU-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23NO4/c1-14(2,3)15(10-17,16-13(18)19)9-11-5-7-12(20-4)8-6-11/h5-8,16-17H,9-10H2,1-4H3,(H,18,19)/t15-/m1/s1.
What are the key properties of [(2S)-1-hydroxy-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutan-2-yl]carbamic acid?
[(2S)-1-hydroxy-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutan-2-yl]carbamic acid has a molecular weight of 281.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-hydroxy-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutan-2-yl]carbamic acid is sourced from PubChem (CID 69102654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).