(3-ethoxycyclobutyl)carbamic acid

C7H13NO3 — CID 146452869

IUPAC(3-ethoxycyclobutyl)carbamic acid
SMILESCCOC1CC(NC(=O)O)C1
InChIInChI=1S/C7H13NO3/c1-2-11-6-3-5(4-6)8-7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyUJQVWMPLNCOSGL-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.82
Rot. Bonds3

About (3-ethoxycyclobutyl)carbamic acid

(3-ethoxycyclobutyl)carbamic acid (PubChem CID 146452869) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (3-ethoxycyclobutyl)carbamic acid.

Molecular Properties

Compound Name(3-ethoxycyclobutyl)carbamic acid
PubChem CID146452869
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(3-ethoxycyclobutyl)carbamic acid
SMILESCCOC1CC(NC(=O)O)C1
InChIInChI=1S/C7H13NO3/c1-2-11-6-3-5(4-6)8-7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyUJQVWMPLNCOSGL-UHFFFAOYSA-N
XLogP0.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-Butyl (3-hydroxycyclobutyl)carbamate
CID 22594430
tert-butyl N-[(1s,3s)-3-(3-aminopropoxy)cyclobutyl]carbamate
CID 177799393
[3-(2-Fluoroethoxy)cyclobutyl]carbamic acid
CID 146585746
[3-(2,2-Difluoroethoxy)cyclobutyl]carbamic acid
CID 152539220
[3-(Trifluoromethoxy)cyclobutyl]carbamic acid
CID 155103735
[3-(Difluoromethoxy)cyclobutyl]carbamic acid
CID 172755068
2,2,2-trifluoroethyl N-(3-ethoxycyclobutyl)carbamate
CID 102671595
3-Methoxybutylcarbamic acid
CID 19018222
3-Propan-2-yloxypropylcarbamic acid
CID 54024677
(3-Hydroxycyclobutyl)carbamic acid
CID 57486966
propan-2-yl N-cyclobutylcarbamate
CID 57562760
(3-aminocyclobutyl) N-methylcarbamate
CID 57601667

Frequently Asked Questions

What is the IUPAC name of (3-ethoxycyclobutyl)carbamic acid?
The IUPAC name of (3-ethoxycyclobutyl)carbamic acid (CID 146452869) is (3-ethoxycyclobutyl)carbamic acid.
What is the SMILES notation for (3-ethoxycyclobutyl)carbamic acid?
The canonical SMILES for (3-ethoxycyclobutyl)carbamic acid is CCOC1CC(NC(=O)O)C1.
What is the InChIKey of (3-ethoxycyclobutyl)carbamic acid?
The InChIKey is UJQVWMPLNCOSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-11-6-3-5(4-6)8-7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10).
What are the key properties of (3-ethoxycyclobutyl)carbamic acid?
(3-ethoxycyclobutyl)carbamic acid has a molecular weight of 159.18 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxycyclobutyl)carbamic acid is sourced from PubChem (CID 146452869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).