1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide

C11H20N2O2 — CID 81168701

IUPAC1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCC2CCOCC2)CCC1
InChIInChI=1S/C11H20N2O2/c12-11(4-1-5-11)10(14)13-8-9-2-6-15-7-3-9/h9H,1-8,12H2,(H,13,14)
InChIKeyKMOTVZRWBVATOQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.41
Rot. Bonds3

About 1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide

1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 81168701) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide
PubChem CID81168701
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCC2CCOCC2)CCC1
InChIInChI=1S/C11H20N2O2/c12-11(4-1-5-11)10(14)13-8-9-2-6-15-7-3-9/h9H,1-8,12H2,(H,13,14)
InChIKeyKMOTVZRWBVATOQ-UHFFFAOYSA-N
XLogP0.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide
CID 56790354
(2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide
CID 98773286
4-amino-N-(5,5,5-trifluoropentyl)oxane-4-carboxamide
CID 113327534
3-methyl-N-[[4-(3-methylbutanoylamino)oxan-4-yl]methyl]butanamide
CID 56790353
N-[(4-methyloxan-4-yl)methyl]cyclobutanecarboxamide
CID 91914815
N-(2-aminoethyl)oxane-4-carboxamide
CID 15035312
N-(2-amino-2-oxoethyl)-2-(oxan-4-yl)acetamide
CID 18994258
N-(1-aminopropan-2-yl)oxane-4-carboxamide
CID 19797577
N-[(oxan-4-yl)methyl]pyrrolidine-2-carboxamide
CID 53410770
N-[(2R)-1-aminopropan-2-yl]oxane-4-carboxamide
CID 54071869
N-[(2S)-1-aminopropan-2-yl]oxane-4-carboxamide
CID 54071870
(2S)-2-amino-4-methyl-N-(oxan-4-yl)pentanamide
CID 61154414

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide (CID 81168701) is 1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide is NC1(C(=O)NCC2CCOCC2)CCC1.
What is the InChIKey of 1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is KMOTVZRWBVATOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-11(4-1-5-11)10(14)13-8-9-2-6-15-7-3-9/h9H,1-8,12H2,(H,13,14).
What are the key properties of 1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide?
1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 81168701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).