1-(aminomethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutane-1-carboxamide

C11H21N3O2 — CID 80588209

IUPAC1-(aminomethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutane-1-carboxamide
SMILESCC(C)NC(=O)CNC(=O)C1(CN)CCC1
InChIInChI=1S/C11H21N3O2/c1-8(2)14-9(15)6-13-10(16)11(7-12)4-3-5-11/h8H,3-7,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyCEWIJVWFUUSQQI-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.24
Rot. Bonds5

About 1-(aminomethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutane-1-carboxamide (PubChem CID 80588209) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutane-1-carboxamide
PubChem CID80588209
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-(aminomethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutane-1-carboxamide
SMILESCC(C)NC(=O)CNC(=O)C1(CN)CCC1
InChIInChI=1S/C11H21N3O2/c1-8(2)14-9(15)6-13-10(16)11(7-12)4-3-5-11/h8H,3-7,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyCEWIJVWFUUSQQI-UHFFFAOYSA-N
XLogP-0.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]cyclobutane-1-carboxamide
CID 80588092
1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide
CID 115448338
1-(aminomethyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 80587776
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid
CID 115437637
1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221086
2-[1-(aminomethyl)cyclohexyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 104677578
1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide
CID 115406460
1-(aminomethyl)-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide
CID 80587363
1-(aminomethyl)-N-(3-hydroxybutyl)cyclopentane-1-carboxamide
CID 81489303
(2R)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]propanoic acid
CID 115435215
methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-methylbutanoate
CID 115447658
1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 80586699

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutane-1-carboxamide (CID 80588209) is 1-(aminomethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutane-1-carboxamide is CC(C)NC(=O)CNC(=O)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutane-1-carboxamide?
The InChIKey is CEWIJVWFUUSQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(2)14-9(15)6-13-10(16)11(7-12)4-3-5-11/h8H,3-7,12H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 1-(aminomethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutane-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 80588209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).