2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid

C10H19NO3 — CID 103245626

IUPAC2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid
SMILESCOCC(C)CNC1CCC1C(=O)O
InChIInChI=1S/C10H19NO3/c1-7(6-14-2)5-11-9-4-3-8(9)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyNHSVPGZCKCFJOE-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.72
Rot. Bonds6

About 2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid

2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 103245626) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid
PubChem CID103245626
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid
SMILESCOCC(C)CNC1CCC1C(=O)O
InChIInChI=1S/C10H19NO3/c1-7(6-14-2)5-11-9-4-3-8(9)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyNHSVPGZCKCFJOE-UHFFFAOYSA-N
XLogP0.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid
CID 103237165
N-(3-methoxy-2-methylpropyl)-2,5-dimethylcyclohexan-1-amine
CID 64760108
2-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid
CID 103260441
tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate
CID 107238325
N-(3-methoxy-2-methylpropyl)-2-methylcyclopentan-1-amine
CID 65045798
3-[(3-methoxy-2-methylpropyl)amino]cyclobutan-1-ol
CID 116501365
tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate
CID 103082529
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclobutane-1-carboxylic acid
CID 106162234
2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid
CID 103240382
N-(3-methoxy-2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 81334166
2-(propylamino)cyclobutane-1-carboxylic acid
CID 103235108
5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103245618

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid (CID 103245626) is 2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid is COCC(C)CNC1CCC1C(=O)O.
What is the InChIKey of 2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is NHSVPGZCKCFJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(6-14-2)5-11-9-4-3-8(9)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid?
2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103245626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).