(2,5-dihydroxy-2-methyl-1-phenylpentyl)carbamic acid

C13H19NO4 — CID 121416284

IUPAC(2,5-dihydroxy-2-methyl-1-phenylpentyl)carbamic acid
SMILESCC(O)(CCCO)C(NC(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO4/c1-13(18,8-5-9-15)11(14-12(16)17)10-6-3-2-4-7-10/h2-4,6-7,11,14-15,18H,5,8-9H2,1H3,(H,16,17)
InChIKeyHDZZURHMWGFZOX-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.52
Rot. Bonds6

About (2,5-dihydroxy-2-methyl-1-phenylpentyl)carbamic acid

(2,5-dihydroxy-2-methyl-1-phenylpentyl)carbamic acid (PubChem CID 121416284) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2,5-dihydroxy-2-methyl-1-phenylpentyl)carbamic acid.

Molecular Properties

Compound Name(2,5-dihydroxy-2-methyl-1-phenylpentyl)carbamic acid
PubChem CID121416284
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name(2,5-dihydroxy-2-methyl-1-phenylpentyl)carbamic acid
SMILESCC(O)(CCCO)C(NC(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO4/c1-13(18,8-5-9-15)11(14-12(16)17)10-6-3-2-4-7-10/h2-4,6-7,11,14-15,18H,5,8-9H2,1H3,(H,16,17)
InChIKeyHDZZURHMWGFZOX-UHFFFAOYSA-N
XLogP1.52
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2,3,3,3-pentafluoro-1-phenylpropyl)carbamic acid
CID 57302331
2,5-dihydroxy-2-methyl-1-phenylpentan-1-one
CID 175459425
benzoic acid;6-methylheptane-1,6-diol
CID 175023836
2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide
CID 106842975
N-(2,2-dimethyl-1-phenylpropyl)-2-(methylamino)acetamide
CID 43705369
ethyl 2-(5-hydroxypentylamino)-2-phenylacetate
CID 107318255
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
[2,5-dihydroxy-2-(2-methylphenyl)pentyl]carbamic acid
CID 121416282
3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66174600
tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate
CID 91260238
4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol
CID 103911194
6-phenylheptane-1,6-diol
CID 11310303

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxy-2-methyl-1-phenylpentyl)carbamic acid?
The IUPAC name of (2,5-dihydroxy-2-methyl-1-phenylpentyl)carbamic acid (CID 121416284) is (2,5-dihydroxy-2-methyl-1-phenylpentyl)carbamic acid.
What is the SMILES notation for (2,5-dihydroxy-2-methyl-1-phenylpentyl)carbamic acid?
The canonical SMILES for (2,5-dihydroxy-2-methyl-1-phenylpentyl)carbamic acid is CC(O)(CCCO)C(NC(=O)O)c1ccccc1.
What is the InChIKey of (2,5-dihydroxy-2-methyl-1-phenylpentyl)carbamic acid?
The InChIKey is HDZZURHMWGFZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-13(18,8-5-9-15)11(14-12(16)17)10-6-3-2-4-7-10/h2-4,6-7,11,14-15,18H,5,8-9H2,1H3,(H,16,17).
What are the key properties of (2,5-dihydroxy-2-methyl-1-phenylpentyl)carbamic acid?
(2,5-dihydroxy-2-methyl-1-phenylpentyl)carbamic acid has a molecular weight of 253.30 g/mol, XLogP of 1.52, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxy-2-methyl-1-phenylpentyl)carbamic acid is sourced from PubChem (CID 121416284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).