N-(1-amino-2-methylpropan-2-yl)azetidine-3-carboxamide

C8H17N3O — CID 130616999

IUPACN-(1-amino-2-methylpropan-2-yl)azetidine-3-carboxamide
SMILESCC(C)(CN)NC(=O)C1CNC1
InChIInChI=1S/C8H17N3O/c1-8(2,5-9)11-7(12)6-3-10-4-6/h6,10H,3-5,9H2,1-2H3,(H,11,12)
InChIKeyGBXYVMFYBKZQNH-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.94
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)azetidine-3-carboxamide

N-(1-amino-2-methylpropan-2-yl)azetidine-3-carboxamide (PubChem CID 130616999) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)azetidine-3-carboxamide
PubChem CID130616999
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-(1-amino-2-methylpropan-2-yl)azetidine-3-carboxamide
SMILESCC(C)(CN)NC(=O)C1CNC1
InChIInChI=1S/C8H17N3O/c1-8(2,5-9)11-7(12)6-3-10-4-6/h6,10H,3-5,9H2,1-2H3,(H,11,12)
InChIKeyGBXYVMFYBKZQNH-UHFFFAOYSA-N
XLogP-0.94
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide
CID 106096459
N-(1-amino-2-methylpropan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
CID 119524077
N-(3-methylpent-1-yn-3-yl)azetidine-3-carboxamide
CID 131043316
(3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 94915342
N-(2-cyclobutylpropan-2-yl)azetidine-3-carboxamide
CID 131001608
N-(1-amino-2-methylpropan-2-yl)-2-ethoxycyclopropane-1-carboxamide
CID 119525062
(3S)-N-(2-methylpentan-2-yl)piperidine-3-carboxamide
CID 104862424
N-(1-amino-2-methylbutan-2-yl)cyclopropanecarboxamide
CID 64551544
N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119522998
4-methyl-N-(2-methylpentan-2-yl)pyrrolidine-3-carboxamide
CID 115747606
N-(1-amino-2-methylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119524078
(1S,5R)-N-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 130662861

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)azetidine-3-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)azetidine-3-carboxamide (CID 130616999) is N-(1-amino-2-methylpropan-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)azetidine-3-carboxamide is CC(C)(CN)NC(=O)C1CNC1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)azetidine-3-carboxamide?
The InChIKey is GBXYVMFYBKZQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-8(2,5-9)11-7(12)6-3-10-4-6/h6,10H,3-5,9H2,1-2H3,(H,11,12).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)azetidine-3-carboxamide?
N-(1-amino-2-methylpropan-2-yl)azetidine-3-carboxamide has a molecular weight of 171.24 g/mol, XLogP of -0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 130616999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).