[4-(hydroxymethyl)-1-bicyclo[2.2.1]heptanyl]carbamic acid

C9H15NO3 — CID 67549106

IUPAC[4-(hydroxymethyl)-1-bicyclo[2.2.1]heptanyl]carbamic acid
SMILESO=C(O)NC12CCC(CO)(CC1)C2
InChIInChI=1S/C9H15NO3/c11-6-8-1-3-9(5-8,4-2-8)10-7(12)13/h10-11H,1-6H2,(H,12,13)
InChIKeyAMXAFJXCSIZSON-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.95
Rot. Bonds2

About [4-(hydroxymethyl)-1-bicyclo[2.2.1]heptanyl]carbamic acid

[4-(hydroxymethyl)-1-bicyclo[2.2.1]heptanyl]carbamic acid (PubChem CID 67549106) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is [4-(hydroxymethyl)-1-bicyclo[2.2.1]heptanyl]carbamic acid.

Molecular Properties

Compound Name[4-(hydroxymethyl)-1-bicyclo[2.2.1]heptanyl]carbamic acid
PubChem CID67549106
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name[4-(hydroxymethyl)-1-bicyclo[2.2.1]heptanyl]carbamic acid
SMILESO=C(O)NC12CCC(CO)(CC1)C2
InChIInChI=1S/C9H15NO3/c11-6-8-1-3-9(5-8,4-2-8)10-7(12)13/h10-11H,1-6H2,(H,12,13)
InChIKeyAMXAFJXCSIZSON-UHFFFAOYSA-N
XLogP0.95
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamic acid
CID 174232006
N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]propanamide
CID 146303927
[4-(propan-2-ylamino)-1-bicyclo[2.2.2]octanyl]methanol
CID 134166319
(5-amino-1-bicyclo[3.2.1]octanyl)methanol;2-[[5-(hydroxymethyl)-1-bicyclo[3.2.1]octanyl]amino]-1-phenylethanone
CID 159243348
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
(1-formyl-2-oxabicyclo[2.2.2]octan-4-yl)carbamic acid
CID 134229689
[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamic acid
CID 174223727
[1-(hydroxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamic acid
CID 141189897
(4-ethylpiperidin-4-yl)carbamic acid
CID 141381339
[5-(hydroxymethyl)-2-oxabicyclo[3.1.1]heptan-1-yl]methylcarbamic acid
CID 174158146
tert-butyl N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)oxymethyl]-1-bicyclo[2.2.1]heptanyl]carbamate
CID 163818123
methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate
CID 10796998

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-1-bicyclo[2.2.1]heptanyl]carbamic acid?
The IUPAC name of [4-(hydroxymethyl)-1-bicyclo[2.2.1]heptanyl]carbamic acid (CID 67549106) is [4-(hydroxymethyl)-1-bicyclo[2.2.1]heptanyl]carbamic acid.
What is the SMILES notation for [4-(hydroxymethyl)-1-bicyclo[2.2.1]heptanyl]carbamic acid?
The canonical SMILES for [4-(hydroxymethyl)-1-bicyclo[2.2.1]heptanyl]carbamic acid is O=C(O)NC12CCC(CO)(CC1)C2.
What is the InChIKey of [4-(hydroxymethyl)-1-bicyclo[2.2.1]heptanyl]carbamic acid?
The InChIKey is AMXAFJXCSIZSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-6-8-1-3-9(5-8,4-2-8)10-7(12)13/h10-11H,1-6H2,(H,12,13).
What are the key properties of [4-(hydroxymethyl)-1-bicyclo[2.2.1]heptanyl]carbamic acid?
[4-(hydroxymethyl)-1-bicyclo[2.2.1]heptanyl]carbamic acid has a molecular weight of 185.22 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-1-bicyclo[2.2.1]heptanyl]carbamic acid is sourced from PubChem (CID 67549106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).