2-amino-3-methoxy-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpropanamide

C13H22N2O3 — CID 120993433

IUPAC2-amino-3-methoxy-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpropanamide
SMILESCOCC(N)C(=O)NC1C2CCOC2C12CCC2
InChIInChI=1S/C13H22N2O3/c1-17-7-9(14)12(16)15-10-8-3-6-18-11(8)13(10)4-2-5-13/h8-11H,2-7,14H2,1H3,(H,15,16)
InChIKeyUJVFXYZDMVYDRX-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.03
Rot. Bonds4

About 2-amino-3-methoxy-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpropanamide

2-amino-3-methoxy-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpropanamide (PubChem CID 120993433) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpropanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpropanamide
PubChem CID120993433
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-amino-3-methoxy-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpropanamide
SMILESCOCC(N)C(=O)NC1C2CCOC2C12CCC2
InChIInChI=1S/C13H22N2O3/c1-17-7-9(14)12(16)15-10-8-3-6-18-11(8)13(10)4-2-5-13/h8-11H,2-7,14H2,1H3,(H,15,16)
InChIKeyUJVFXYZDMVYDRX-UHFFFAOYSA-N
XLogP0.03
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-methoxypropanamide;hydrochloride
CID 120990883
(2S)-2-(methanesulfonamido)-3,3-dimethyl-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]butanamide
CID 124777601
3-cyclobutyl-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]propanamide
CID 99635444
(2S)-2-acetamido-4-oxo-4-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylamino)butanoic acid
CID 155969470
1-(4-hydroxy-2-methylbutyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
CID 109390202
2-amino-N-cyclooctyl-3-methoxypropanamide
CID 81082114
2-methylpropyl 4-[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate
CID 129446196
2-methylpropyl 4-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate
CID 99851637
ethyl 4-(N'-methyl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylcarbamimidoyl)piperazine-1-carboxylate
CID 109391564
1-[(1-hydroxycyclopentyl)methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
CID 109390208
2-[[(2-methoxyethylamino)-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110034479
2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride
CID 119329831

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpropanamide?
The IUPAC name of 2-amino-3-methoxy-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpropanamide (CID 120993433) is 2-amino-3-methoxy-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpropanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpropanamide?
The canonical SMILES for 2-amino-3-methoxy-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpropanamide is COCC(N)C(=O)NC1C2CCOC2C12CCC2.
What is the InChIKey of 2-amino-3-methoxy-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpropanamide?
The InChIKey is UJVFXYZDMVYDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-17-7-9(14)12(16)15-10-8-3-6-18-11(8)13(10)4-2-5-13/h8-11H,2-7,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-3-methoxy-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpropanamide?
2-amino-3-methoxy-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpropanamide has a molecular weight of 254.33 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpropanamide is sourced from PubChem (CID 120993433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).