1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide

C12H24N2O3 — CID 107219003

IUPAC1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)N[C@@H](C)CO)C1(C)C
InChIInChI=1S/C12H24N2O3/c1-5-17-9-6-12(13,11(9,3)4)10(16)14-8(2)7-15/h8-9,15H,5-7,13H2,1-4H3,(H,14,16)/t8-,9?,12?/m0/s1
InChIKeyVMTCTBVOBFMCFL-QTZUAFFRSA-N
MW244.33 g/mol
LogP0.02
Rot. Bonds5

About 1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide

1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide (PubChem CID 107219003) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide
PubChem CID107219003
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)N[C@@H](C)CO)C1(C)C
InChIInChI=1S/C12H24N2O3/c1-5-17-9-6-12(13,11(9,3)4)10(16)14-8(2)7-15/h8-9,15H,5-7,13H2,1-4H3,(H,14,16)/t8-,9?,12?/m0/s1
InChIKeyVMTCTBVOBFMCFL-QTZUAFFRSA-N
XLogP0.02
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 114827756
1-amino-3-ethoxy-2,2-dimethyl-N-(1-methylsulfinylpropan-2-yl)cyclobutane-1-carboxamide
CID 114829987
1-amino-3-ethoxy-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114830086
1-amino-N-(1,1-dimethoxypropan-2-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829345
methyl 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-3-methylbutanoate
CID 114828888
1-amino-3-ethoxy-2,2-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 114828983
(2R)-2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-hydroxybutanoic acid
CID 107825130
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
1-amino-3-ethoxy-2,2-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 114828245
1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
CID 114827765
1-amino-3-ethoxy-2,2-dimethyl-N-[(1R)-1-phenylethyl]cyclobutane-1-carboxamide
CID 104979683
1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclobutane-1-carboxamide
CID 114829539

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide (CID 107219003) is 1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)N[C@@H](C)CO)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is VMTCTBVOBFMCFL-QTZUAFFRSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-17-9-6-12(13,11(9,3)4)10(16)14-8(2)7-15/h8-9,15H,5-7,13H2,1-4H3,(H,14,16)/t8-,9?,12?/m0/s1.
What are the key properties of 1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide?
1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 244.33 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 107219003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).