[(2S)-3-hydroxy-2-methylpropyl]-phenylcarbamic acid

C11H15NO3 — CID 54211065

IUPAC[(2S)-3-hydroxy-2-methylpropyl]-phenylcarbamic acid
SMILESC[C@H](CO)CN(C(=O)O)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-9(8-13)7-12(11(14)15)10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyPVZHHJUNEUCETB-VIFPVBQESA-N
MW209.25 g/mol
LogP1.80
Rot. Bonds4

About [(2S)-3-hydroxy-2-methylpropyl]-phenylcarbamic acid

[(2S)-3-hydroxy-2-methylpropyl]-phenylcarbamic acid (PubChem CID 54211065) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is [(2S)-3-hydroxy-2-methylpropyl]-phenylcarbamic acid.

Molecular Properties

Compound Name[(2S)-3-hydroxy-2-methylpropyl]-phenylcarbamic acid
PubChem CID54211065
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name[(2S)-3-hydroxy-2-methylpropyl]-phenylcarbamic acid
SMILESC[C@H](CO)CN(C(=O)O)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-9(8-13)7-12(11(14)15)10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyPVZHHJUNEUCETB-VIFPVBQESA-N
XLogP1.80
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

hydroxymethyl(phenyl)carbamic acid
CID 69165687
N-(2-methylbutyl)-N-phenylcarbamate
CID 21460549
(2-fluoro-3-hydroxy-3-methylbutyl)-phenylcarbamic acid
CID 118890550
2-(2-methylprop-2-enoyloxy)propyl-phenylcarbamic acid
CID 23221364
N-(2-methylpropyl)-N-phenylcarbamoyl chloride
CID 20551108
(4-methylphenyl)-(2-methylpropyl)carbamic acid;yttrium
CID 161236037
3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 58405259
N-ethyl-2,3-dihydroxy-N-phenylpropanamide
CID 11195148
methanesulfonamidomethyl(phenyl)carbamic acid
CID 89479428
5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid
CID 11709377
(2R)-2-amino-N-benzyl-N-phenylpropanamide
CID 54996061
2-[N-(2-methylpropanoyl)anilino]acetic acid
CID 28764984

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-hydroxy-2-methylpropyl]-phenylcarbamic acid?
The IUPAC name of [(2S)-3-hydroxy-2-methylpropyl]-phenylcarbamic acid (CID 54211065) is [(2S)-3-hydroxy-2-methylpropyl]-phenylcarbamic acid.
What is the SMILES notation for [(2S)-3-hydroxy-2-methylpropyl]-phenylcarbamic acid?
The canonical SMILES for [(2S)-3-hydroxy-2-methylpropyl]-phenylcarbamic acid is C[C@H](CO)CN(C(=O)O)c1ccccc1.
What is the InChIKey of [(2S)-3-hydroxy-2-methylpropyl]-phenylcarbamic acid?
The InChIKey is PVZHHJUNEUCETB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO3/c1-9(8-13)7-12(11(14)15)10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of [(2S)-3-hydroxy-2-methylpropyl]-phenylcarbamic acid?
[(2S)-3-hydroxy-2-methylpropyl]-phenylcarbamic acid has a molecular weight of 209.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-hydroxy-2-methylpropyl]-phenylcarbamic acid is sourced from PubChem (CID 54211065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).