1-amino-N-(2,2-dimethoxyethyl)cyclobutane-1-carboxamide

C9H18N2O3 — CID 81173235

IUPAC1-amino-N-(2,2-dimethoxyethyl)cyclobutane-1-carboxamide
SMILESCOC(CNC(=O)C1(N)CCC1)OC
InChIInChI=1S/C9H18N2O3/c1-13-7(14-2)6-11-8(12)9(10)4-3-5-9/h7H,3-6,10H2,1-2H3,(H,11,12)
InChIKeyXXPOYOMDOKEBRI-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.40
Rot. Bonds5

About 1-amino-N-(2,2-dimethoxyethyl)cyclobutane-1-carboxamide

1-amino-N-(2,2-dimethoxyethyl)cyclobutane-1-carboxamide (PubChem CID 81173235) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-amino-N-(2,2-dimethoxyethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2,2-dimethoxyethyl)cyclobutane-1-carboxamide
PubChem CID81173235
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name1-amino-N-(2,2-dimethoxyethyl)cyclobutane-1-carboxamide
SMILESCOC(CNC(=O)C1(N)CCC1)OC
InChIInChI=1S/C9H18N2O3/c1-13-7(14-2)6-11-8(12)9(10)4-3-5-9/h7H,3-6,10H2,1-2H3,(H,11,12)
InChIKeyXXPOYOMDOKEBRI-UHFFFAOYSA-N
XLogP-0.40
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(1,1-dimethoxyhexan-2-yl)-4-methylpentanamide
CID 15228367
(2S)-2-amino-N-(1,1-dimethoxy-3-methylpentan-2-yl)-4-methylpentanamide
CID 88482824
(2S)-2-amino-N-(1,1-dimethoxy-4-methylpentan-2-yl)-4-methylpentanamide
CID 88482840
(2S)-2-[[(2S)-1,1-dimethoxybutan-2-yl]amino]-4-methylpentanamide
CID 139834314
N'-(1-bicyclo[1.1.1]pentanyl)-N-(2,2-dimethoxyethyl)oxamide
CID 166103205
(2S)-2-amino-N-(2,2-dimethoxyethyl)-4-methyl-N-(3-methylbutyl)pentanamide
CID 167004177
2-amino-N-(2,2-dimethoxyethyl)-2-methylpropanamide
CID 28263644
1-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide
CID 39058444
2-(2,2-dimethoxyethylamino)-N,N,4-trimethylpentanamide
CID 55233466
2-amino-N-(1-methoxypropan-2-yl)-2-methylpentanamide
CID 60847681
2-amino-N-(2-ethoxyethyl)-2-methylpentanamide
CID 60848401
2-amino-N-(2-methoxyethyl)-2-methylpentanamide
CID 60848561

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,2-dimethoxyethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(2,2-dimethoxyethyl)cyclobutane-1-carboxamide (CID 81173235) is 1-amino-N-(2,2-dimethoxyethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2,2-dimethoxyethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2,2-dimethoxyethyl)cyclobutane-1-carboxamide is COC(CNC(=O)C1(N)CCC1)OC.
What is the InChIKey of 1-amino-N-(2,2-dimethoxyethyl)cyclobutane-1-carboxamide?
The InChIKey is XXPOYOMDOKEBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-13-7(14-2)6-11-8(12)9(10)4-3-5-9/h7H,3-6,10H2,1-2H3,(H,11,12).
What are the key properties of 1-amino-N-(2,2-dimethoxyethyl)cyclobutane-1-carboxamide?
1-amino-N-(2,2-dimethoxyethyl)cyclobutane-1-carboxamide has a molecular weight of 202.25 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,2-dimethoxyethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 81173235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).