2-[[(3S)-morpholine-3-carbonyl]amino]ethyl acetate

C9H16N2O4 — CID 118107617

IUPAC2-[[(3S)-morpholine-3-carbonyl]amino]ethyl acetate
SMILESCC(=O)OCCNC(=O)[C@@H]1COCCN1
InChIInChI=1S/C9H16N2O4/c1-7(12)15-5-3-11-9(13)8-6-14-4-2-10-8/h8,10H,2-6H2,1H3,(H,11,13)/t8-/m0/s1
InChIKeyZDUMLMQSSJABIR-QMMMGPOBSA-N
MW216.24 g/mol
LogP-1.35
Rot. Bonds4

About 2-[[(3S)-morpholine-3-carbonyl]amino]ethyl acetate

2-[[(3S)-morpholine-3-carbonyl]amino]ethyl acetate (PubChem CID 118107617) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[[(3S)-morpholine-3-carbonyl]amino]ethyl acetate.

Molecular Properties

Compound Name2-[[(3S)-morpholine-3-carbonyl]amino]ethyl acetate
PubChem CID118107617
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-[[(3S)-morpholine-3-carbonyl]amino]ethyl acetate
SMILESCC(=O)OCCNC(=O)[C@@H]1COCCN1
InChIInChI=1S/C9H16N2O4/c1-7(12)15-5-3-11-9(13)8-6-14-4-2-10-8/h8,10H,2-6H2,1H3,(H,11,13)/t8-/m0/s1
InChIKeyZDUMLMQSSJABIR-QMMMGPOBSA-N
XLogP-1.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(morpholine-3-carbonylamino)ethyl carbamate
CID 83209608
(3S)-N-(2-methoxyethyl)morpholine-3-carboxamide
CID 96998631
(3R)-N-(2-aminoethyl)morpholine-3-carboxamide;hydrochloride
CID 130616444
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119694151
N-(4-methoxy-2,2-dimethylbutyl)morpholine-3-carboxamide
CID 114125129
N-[2-(4-ethylphenyl)ethyl]morpholine-3-carboxamide
CID 115177646
N-(5-hydroxy-4-methylpentyl)morpholine-3-carboxamide
CID 106161275
methyl 2,2-dimethyl-3-(morpholine-3-carbonylamino)propanoate
CID 119789338
N-[3-(4-fluorophenoxy)propyl]morpholine-3-carboxamide
CID 119757179
methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate
CID 119701381
(3R)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-3-carboxamide
CID 124698235

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-morpholine-3-carbonyl]amino]ethyl acetate?
The IUPAC name of 2-[[(3S)-morpholine-3-carbonyl]amino]ethyl acetate (CID 118107617) is 2-[[(3S)-morpholine-3-carbonyl]amino]ethyl acetate.
What is the SMILES notation for 2-[[(3S)-morpholine-3-carbonyl]amino]ethyl acetate?
The canonical SMILES for 2-[[(3S)-morpholine-3-carbonyl]amino]ethyl acetate is CC(=O)OCCNC(=O)[C@@H]1COCCN1.
What is the InChIKey of 2-[[(3S)-morpholine-3-carbonyl]amino]ethyl acetate?
The InChIKey is ZDUMLMQSSJABIR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-7(12)15-5-3-11-9(13)8-6-14-4-2-10-8/h8,10H,2-6H2,1H3,(H,11,13)/t8-/m0/s1.
What are the key properties of 2-[[(3S)-morpholine-3-carbonyl]amino]ethyl acetate?
2-[[(3S)-morpholine-3-carbonyl]amino]ethyl acetate has a molecular weight of 216.24 g/mol, XLogP of -1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-morpholine-3-carbonyl]amino]ethyl acetate is sourced from PubChem (CID 118107617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).