(3-hydroxycyclobutyl)carbamic acid

C5H9NO3 — CID 57486966

IUPAC(3-hydroxycyclobutyl)carbamic acid
SMILESO=C(O)NC1CC(O)C1
InChIInChI=1S/C5H9NO3/c7-4-1-3(2-4)6-5(8)9/h3-4,6-7H,1-2H2,(H,8,9)
InChIKeyJYRZJYINGAEASK-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.22
Rot. Bonds1

About (3-hydroxycyclobutyl)carbamic acid

(3-hydroxycyclobutyl)carbamic acid (PubChem CID 57486966) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (3-hydroxycyclobutyl)carbamic acid.

Molecular Properties

Compound Name(3-hydroxycyclobutyl)carbamic acid
PubChem CID57486966
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(3-hydroxycyclobutyl)carbamic acid
SMILESO=C(O)NC1CC(O)C1
InChIInChI=1S/C5H9NO3/c7-4-1-3(2-4)6-5(8)9/h3-4,6-7H,1-2H2,(H,8,9)
InChIKeyJYRZJYINGAEASK-UHFFFAOYSA-N
XLogP-0.22
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

tert-Butyl (3-hydroxycyclobutyl)carbamate
CID 22594430
[3-(2-Fluoroethoxy)cyclobutyl]carbamic acid
CID 146585746
[3-(Trifluoromethoxy)cyclobutyl]carbamic acid
CID 155103735
[3-(Difluoromethoxy)cyclobutyl]carbamic acid
CID 172755068
2,2,2-trifluoroethyl N-(3-hydroxycyclobutyl)carbamate
CID 65972563
4-Hydroxybutan-2-ylcarbamic acid
CID 23135998
(3-Hydroxycyclobutyl)urea
CID 65973605
2-methylpropyl N-(3-hydroxycyclobutyl)carbamate
CID 65973832
N-(3-hydroxycyclobutyl)acetamide
CID 65975407
N-(3-hydroxycyclobutyl)formamide
CID 65976253
tert-Butyl (trans-3-hydroxycyclobutyl)carbamate hydrochloride
CID 73554177
3-Hydroxybutylcarbamic acid
CID 87311952

Frequently Asked Questions

What is the IUPAC name of (3-hydroxycyclobutyl)carbamic acid?
The IUPAC name of (3-hydroxycyclobutyl)carbamic acid (CID 57486966) is (3-hydroxycyclobutyl)carbamic acid.
What is the SMILES notation for (3-hydroxycyclobutyl)carbamic acid?
The canonical SMILES for (3-hydroxycyclobutyl)carbamic acid is O=C(O)NC1CC(O)C1.
What is the InChIKey of (3-hydroxycyclobutyl)carbamic acid?
The InChIKey is JYRZJYINGAEASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c7-4-1-3(2-4)6-5(8)9/h3-4,6-7H,1-2H2,(H,8,9).
What are the key properties of (3-hydroxycyclobutyl)carbamic acid?
(3-hydroxycyclobutyl)carbamic acid has a molecular weight of 131.13 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxycyclobutyl)carbamic acid is sourced from PubChem (CID 57486966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).