(3S)-N-(2-methoxyethyl)morpholine-3-carboxamide

C8H16N2O3 — CID 96998631

IUPAC(3S)-N-(2-methoxyethyl)morpholine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1COCCN1
InChIInChI=1S/C8H16N2O3/c1-12-4-2-10-8(11)7-6-13-5-3-9-7/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyOWLIDTHAVMYBKQ-ZETCQYMHSA-N
MW188.23 g/mol
LogP-1.26
Rot. Bonds4

About (3S)-N-(2-methoxyethyl)morpholine-3-carboxamide

(3S)-N-(2-methoxyethyl)morpholine-3-carboxamide (PubChem CID 96998631) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (3S)-N-(2-methoxyethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methoxyethyl)morpholine-3-carboxamide
PubChem CID96998631
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(3S)-N-(2-methoxyethyl)morpholine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1COCCN1
InChIInChI=1S/C8H16N2O3/c1-12-4-2-10-8(11)7-6-13-5-3-9-7/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyOWLIDTHAVMYBKQ-ZETCQYMHSA-N
XLogP-1.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(3S)-morpholine-3-carbonyl]amino]ethyl acetate
CID 118107617
2-(morpholine-3-carbonylamino)ethyl carbamate
CID 83209608
N-(4-methoxy-2,2-dimethylbutyl)morpholine-3-carboxamide
CID 114125129
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119694151
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119812094
(3R)-N-(2-aminoethyl)morpholine-3-carboxamide;hydrochloride
CID 130616444
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119820354
N-[[4-(2-methoxyethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119723243
methyl 2,2-dimethyl-3-(morpholine-3-carbonylamino)propanoate
CID 119789338
methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate
CID 119701381
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]morpholine-3-carboxamide
CID 119874815

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxyethyl)morpholine-3-carboxamide?
The IUPAC name of (3S)-N-(2-methoxyethyl)morpholine-3-carboxamide (CID 96998631) is (3S)-N-(2-methoxyethyl)morpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-methoxyethyl)morpholine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-methoxyethyl)morpholine-3-carboxamide is COCCNC(=O)[C@@H]1COCCN1.
What is the InChIKey of (3S)-N-(2-methoxyethyl)morpholine-3-carboxamide?
The InChIKey is OWLIDTHAVMYBKQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-12-4-2-10-8(11)7-6-13-5-3-9-7/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (3S)-N-(2-methoxyethyl)morpholine-3-carboxamide?
(3S)-N-(2-methoxyethyl)morpholine-3-carboxamide has a molecular weight of 188.23 g/mol, XLogP of -1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxyethyl)morpholine-3-carboxamide is sourced from PubChem (CID 96998631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).