1-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid

C12H20N2O4 — CID 79070971

IUPAC1-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCN1CCOC(CNC(=O)C2(C(=O)O)CCC2)C1
InChIInChI=1S/C12H20N2O4/c1-14-5-6-18-9(8-14)7-13-10(15)12(11(16)17)3-2-4-12/h9H,2-8H2,1H3,(H,13,15)(H,16,17)
InChIKeyUKYWBOSBSLLMFQ-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.31
Rot. Bonds4

About 1-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid

1-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 79070971) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID79070971
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCN1CCOC(CNC(=O)C2(C(=O)O)CCC2)C1
InChIInChI=1S/C12H20N2O4/c1-14-5-6-18-9(8-14)7-13-10(15)12(11(16)17)3-2-4-12/h9H,2-8H2,1H3,(H,13,15)(H,16,17)
InChIKeyUKYWBOSBSLLMFQ-UHFFFAOYSA-N
XLogP-0.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclopentane-1-carboxamide
CID 79082482
4-amino-N-[(4-methylmorpholin-2-yl)methyl]oxane-4-carboxamide
CID 115295108
1-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutane-1-carboxamide
CID 122566549
N-[(4-methylmorpholin-2-yl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 49094024
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
2-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 104598338
1-amino-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79081951
2-(azetidin-3-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 79083364
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid
CID 103498729

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 79070971) is 1-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid is CN1CCOC(CNC(=O)C2(C(=O)O)CCC2)C1.
What is the InChIKey of 1-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is UKYWBOSBSLLMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-14-5-6-18-9(8-14)7-13-10(15)12(11(16)17)3-2-4-12/h9H,2-8H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 1-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
1-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 79070971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).