1-[(morpholine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid

C11H18N2O4 — CID 115445861

IUPAC1-[(morpholine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)C1CNCCO1
InChIInChI=1S/C11H18N2O4/c14-9(8-6-12-4-5-17-8)13-7-11(10(15)16)2-1-3-11/h8,12H,1-7H2,(H,13,14)(H,15,16)
InChIKeyBRLFIZNVBLJPQM-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.65
Rot. Bonds4

About 1-[(morpholine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid

1-[(morpholine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445861) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-[(morpholine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(morpholine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID115445861
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-[(morpholine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)C1CNCCO1
InChIInChI=1S/C11H18N2O4/c14-9(8-6-12-4-5-17-8)13-7-11(10(15)16)2-1-3-11/h8,12H,1-7H2,(H,13,14)(H,15,16)
InChIKeyBRLFIZNVBLJPQM-UHFFFAOYSA-N
XLogP-0.65
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119782167
1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104855915
1-(morpholine-2-carbonylamino)cyclobutane-1-carboxylic acid
CID 81161798
1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 113311227
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]morpholine-2-carboxamide
CID 65119743
N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119810681
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119820394
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119761194
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119769970
N-[(4-piperidin-1-yloxan-4-yl)methyl]morpholine-2-carboxamide
CID 119886734
1-[(morpholine-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 113311232
4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115439966

Frequently Asked Questions

What is the IUPAC name of 1-[(morpholine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(morpholine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid (CID 115445861) is 1-[(morpholine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(morpholine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(morpholine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCC1)C1CNCCO1.
What is the InChIKey of 1-[(morpholine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is BRLFIZNVBLJPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c14-9(8-6-12-4-5-17-8)13-7-11(10(15)16)2-1-3-11/h8,12H,1-7H2,(H,13,14)(H,15,16).
What are the key properties of 1-[(morpholine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(morpholine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(morpholine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).