[1-[4-(hydroxymethyl)-2-pyridinyl]-2,2-dimethylpropyl]carbamic acid

C12H18N2O3 — CID 118291945

IUPAC[1-[4-(hydroxymethyl)-2-pyridinyl]-2,2-dimethylpropyl]carbamic acid
SMILESCC(C)(C)C(NC(=O)O)c1cc(CO)ccn1
InChIInChI=1S/C12H18N2O3/c1-12(2,3)10(14-11(16)17)9-6-8(7-15)4-5-13-9/h4-6,10,14-15H,7H2,1-3H3,(H,16,17)
InChIKeyDIXRMPWBUDURDA-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.93
Rot. Bonds3

About [1-[4-(hydroxymethyl)-2-pyridinyl]-2,2-dimethylpropyl]carbamic acid

[1-[4-(hydroxymethyl)-2-pyridinyl]-2,2-dimethylpropyl]carbamic acid (PubChem CID 118291945) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is [1-[4-(hydroxymethyl)-2-pyridinyl]-2,2-dimethylpropyl]carbamic acid.

Molecular Properties

Compound Name[1-[4-(hydroxymethyl)-2-pyridinyl]-2,2-dimethylpropyl]carbamic acid
PubChem CID118291945
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name[1-[4-(hydroxymethyl)-2-pyridinyl]-2,2-dimethylpropyl]carbamic acid
SMILESCC(C)(C)C(NC(=O)O)c1cc(CO)ccn1
InChIInChI=1S/C12H18N2O3/c1-12(2,3)10(14-11(16)17)9-6-8(7-15)4-5-13-9/h4-6,10,14-15H,7H2,1-3H3,(H,16,17)
InChIKeyDIXRMPWBUDURDA-UHFFFAOYSA-N
XLogP1.93
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-(bromomethyl)-2-pyridinyl]-2,2-dimethylpropyl]carbamic acid
CID 118292120
[2-[(1S)-1-aminopropyl]-4-pyridinyl]methanol
CID 130677514
(2S)-2-amino-2-[4-(hydroxymethyl)-2-pyridinyl]ethanol
CID 55262518
[2-(1-aminoprop-2-enyl)-4-pyridinyl]methanol
CID 55292388
1-[4-(hydroxymethyl)-2-pyridinyl]propane-1,2,3-triol
CID 170817640
(2-methyl-4-pyridinyl)methanol;hydrochloride
CID 171364039
[2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)propyl]carbamic acid
CID 67216817
2-[4-(hydroxymethyl)-2-pyridinyl]propan-2-ol
CID 58538697
[1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate
CID 152688524
1-[4-(hydroxymethyl)-2-pyridinyl]propan-2-one
CID 147791657
benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate
CID 171855701
2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid
CID 55268385

Frequently Asked Questions

What is the IUPAC name of [1-[4-(hydroxymethyl)-2-pyridinyl]-2,2-dimethylpropyl]carbamic acid?
The IUPAC name of [1-[4-(hydroxymethyl)-2-pyridinyl]-2,2-dimethylpropyl]carbamic acid (CID 118291945) is [1-[4-(hydroxymethyl)-2-pyridinyl]-2,2-dimethylpropyl]carbamic acid.
What is the SMILES notation for [1-[4-(hydroxymethyl)-2-pyridinyl]-2,2-dimethylpropyl]carbamic acid?
The canonical SMILES for [1-[4-(hydroxymethyl)-2-pyridinyl]-2,2-dimethylpropyl]carbamic acid is CC(C)(C)C(NC(=O)O)c1cc(CO)ccn1.
What is the InChIKey of [1-[4-(hydroxymethyl)-2-pyridinyl]-2,2-dimethylpropyl]carbamic acid?
The InChIKey is DIXRMPWBUDURDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2,3)10(14-11(16)17)9-6-8(7-15)4-5-13-9/h4-6,10,14-15H,7H2,1-3H3,(H,16,17).
What are the key properties of [1-[4-(hydroxymethyl)-2-pyridinyl]-2,2-dimethylpropyl]carbamic acid?
[1-[4-(hydroxymethyl)-2-pyridinyl]-2,2-dimethylpropyl]carbamic acid has a molecular weight of 238.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(hydroxymethyl)-2-pyridinyl]-2,2-dimethylpropyl]carbamic acid is sourced from PubChem (CID 118291945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).