(1-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid

C12H17NO3 — CID 154356432

IUPAC(1-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid
SMILESCC(C)(c1ccccc1)C(CO)NC(=O)O
InChIInChI=1S/C12H17NO3/c1-12(2,9-6-4-3-5-7-9)10(8-14)13-11(15)16/h3-7,10,13-14H,8H2,1-2H3,(H,15,16)
InChIKeyZTIKCSGMTPOFHW-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.59
Rot. Bonds4

About (1-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid

(1-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid (PubChem CID 154356432) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (1-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid.

Molecular Properties

Compound Name(1-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid
PubChem CID154356432
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(1-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid
SMILESCC(C)(c1ccccc1)C(CO)NC(=O)O
InChIInChI=1S/C12H17NO3/c1-12(2,9-6-4-3-5-7-9)10(8-14)13-11(15)16/h3-7,10,13-14H,8H2,1-2H3,(H,15,16)
InChIKeyZTIKCSGMTPOFHW-UHFFFAOYSA-N
XLogP1.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxypropan-2-yl)-3-(2-methyl-2-phenylpentan-3-yl)urea
CID 111507058
[(2S)-1,3-dihydroxy-3-methylbutan-2-yl]carbamic acid
CID 87853068
(4-hydroxy-4-phenylhexan-3-yl)carbamic acid
CID 20975817
3-amino-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride
CID 119801288
3-amino-2-methyl-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride
CID 120501519
N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide
CID 110306885
5-methyl-5-phenylhexane-1,2,3,4-tetracarboxylic acid
CID 21315531
(4-cyano-4,4-diphenylbutan-2-yl)carbamic acid
CID 174189297
[3-methyl-1-(4-prop-1-en-2-ylphenoxy)-3-(4-prop-1-en-2-ylphenyl)butan-2-yl]carbamic acid
CID 54052088
(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
CID 78991003
2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 110490509
(4,4-dimethyl-2-oxo-1-phenylpentan-3-yl)carbamic acid
CID 69102432

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid?
The IUPAC name of (1-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid (CID 154356432) is (1-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid.
What is the SMILES notation for (1-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid?
The canonical SMILES for (1-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid is CC(C)(c1ccccc1)C(CO)NC(=O)O.
What is the InChIKey of (1-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid?
The InChIKey is ZTIKCSGMTPOFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-12(2,9-6-4-3-5-7-9)10(8-14)13-11(15)16/h3-7,10,13-14H,8H2,1-2H3,(H,15,16).
What are the key properties of (1-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid?
(1-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid has a molecular weight of 223.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid is sourced from PubChem (CID 154356432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).