2-[(4-methyloxan-4-yl)amino]cyclobutane-1-carboxylic acid

C11H19NO3 — CID 103264171

IUPAC2-[(4-methyloxan-4-yl)amino]cyclobutane-1-carboxylic acid
SMILESCC1(NC2CCC2C(=O)O)CCOCC1
InChIInChI=1S/C11H19NO3/c1-11(4-6-15-7-5-11)12-9-3-2-8(9)10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyIEFVLPPERPXOPW-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.01
Rot. Bonds3

About 2-[(4-methyloxan-4-yl)amino]cyclobutane-1-carboxylic acid

2-[(4-methyloxan-4-yl)amino]cyclobutane-1-carboxylic acid (PubChem CID 103264171) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(4-methyloxan-4-yl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methyloxan-4-yl)amino]cyclobutane-1-carboxylic acid
PubChem CID103264171
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[(4-methyloxan-4-yl)amino]cyclobutane-1-carboxylic acid
SMILESCC1(NC2CCC2C(=O)O)CCOCC1
InChIInChI=1S/C11H19NO3/c1-11(4-6-15-7-5-11)12-9-3-2-8(9)10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyIEFVLPPERPXOPW-UHFFFAOYSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclobutane-1-carboxylic acid
CID 103248769
2-[(2,2-dimethylcyclobutyl)amino]cyclobutane-1-carboxylic acid
CID 130556320
trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 84654598
(2R,5S)-5-[(4-methyloxan-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945713
2-(2-morpholin-4-ylethylamino)cyclobutane-1-carboxylic acid
CID 103235780
2-cyclopropyl-2-[(4-methyloxan-4-yl)amino]acetic acid
CID 103264157
2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 103256629
4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid
CID 115293206
tert-butyl (1S,5R)-3-[(4-methyloxan-4-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 99782089
4-(3,4-dimethylcyclohexyl)oxane-4-carboxylic acid
CID 79425064
cis-(1R,2S)-2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 106296979
2,2,3-trimethyl-4-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 102627668

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyloxan-4-yl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(4-methyloxan-4-yl)amino]cyclobutane-1-carboxylic acid (CID 103264171) is 2-[(4-methyloxan-4-yl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-methyloxan-4-yl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(4-methyloxan-4-yl)amino]cyclobutane-1-carboxylic acid is CC1(NC2CCC2C(=O)O)CCOCC1.
What is the InChIKey of 2-[(4-methyloxan-4-yl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is IEFVLPPERPXOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(4-6-15-7-5-11)12-9-3-2-8(9)10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-[(4-methyloxan-4-yl)amino]cyclobutane-1-carboxylic acid?
2-[(4-methyloxan-4-yl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyloxan-4-yl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103264171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).