[(2R)-2-benzyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid

C14H21NO3 — CID 68901550

IUPAC[(2R)-2-benzyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid
SMILESCC(C)(C)[C@@](CO)(Cc1ccccc1)NC(=O)O
InChIInChI=1S/C14H21NO3/c1-13(2,3)14(10-16,15-12(17)18)9-11-7-5-4-6-8-11/h4-8,15-16H,9-10H2,1-3H3,(H,17,18)/t14-/m0/s1
InChIKeyGXSQNDGJIALZBQ-AWEZNQCLSA-N
MW251.33 g/mol
LogP2.27
Rot. Bonds4

About [(2R)-2-benzyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid

[(2R)-2-benzyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid (PubChem CID 68901550) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [(2R)-2-benzyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-2-benzyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid
PubChem CID68901550
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name[(2R)-2-benzyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid
SMILESCC(C)(C)[C@@](CO)(Cc1ccccc1)NC(=O)O
InChIInChI=1S/C14H21NO3/c1-13(2,3)14(10-16,15-12(17)18)9-11-7-5-4-6-8-11/h4-8,15-16H,9-10H2,1-3H3,(H,17,18)/t14-/m0/s1
InChIKeyGXSQNDGJIALZBQ-AWEZNQCLSA-N
XLogP2.27
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-hydroxy-3,3-dimethyl-2-(pyridin-4-ylmethyl)butan-2-yl]carbamic acid
CID 69107403
[(2S)-1-(3-fluorophenyl)-2-(hydroxymethyl)-3,3-dimethylbutan-2-yl]carbamic acid
CID 67069204
[(2S)-1-hydroxy-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutan-2-yl]carbamic acid
CID 69102654
[(2S)-1-hydroxy-3,3-dimethyl-2-[(1-methylindol-2-yl)methyl]butan-2-yl]carbamic acid
CID 69112709
(2-methyl-1-oxo-3-phenylpropan-2-yl)carbamic acid
CID 87612069
[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-yl]carbamic acid
CID 69020733
2,2-dimethyl-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 56921353
2-amino-N-[2-(2-methylphenyl)-1-phenylpropan-2-yl]acetamide
CID 15115321
2-chloro-2-methyl-3-phenylpropan-1-ol
CID 130128732
4,4-dichloro-2,2-dimethyl-1-phenylpentan-3-one
CID 15444576
2-dimethylsilyl-2-methyl-3-phenylpropanoic acid
CID 150192897
(2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid
CID 88787436

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-benzyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid?
The IUPAC name of [(2R)-2-benzyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid (CID 68901550) is [(2R)-2-benzyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-2-benzyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-2-benzyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid is CC(C)(C)[C@@](CO)(Cc1ccccc1)NC(=O)O.
What is the InChIKey of [(2R)-2-benzyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid?
The InChIKey is GXSQNDGJIALZBQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21NO3/c1-13(2,3)14(10-16,15-12(17)18)9-11-7-5-4-6-8-11/h4-8,15-16H,9-10H2,1-3H3,(H,17,18)/t14-/m0/s1.
What are the key properties of [(2R)-2-benzyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid?
[(2R)-2-benzyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid has a molecular weight of 251.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-benzyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid is sourced from PubChem (CID 68901550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).