[2-[[(2S)-morpholin-2-yl]methoxymethylamino]-2-oxoethyl] carbamate

C9H17N3O5 — CID 175534310

IUPAC[2-[[(2S)-morpholin-2-yl]methoxymethylamino]-2-oxoethyl] carbamate
SMILESNC(=O)OCC(=O)NCOC[C@@H]1CNCCO1
InChIInChI=1S/C9H17N3O5/c10-9(14)17-5-8(13)12-6-15-4-7-3-11-1-2-16-7/h7,11H,1-6H2,(H2,10,14)(H,12,13)/t7-/m0/s1
InChIKeyXVRGNPYLYBZBQI-ZETCQYMHSA-N
MW247.25 g/mol
LogP-1.84
Rot. Bonds6

About [2-[[(2S)-morpholin-2-yl]methoxymethylamino]-2-oxoethyl] carbamate

[2-[[(2S)-morpholin-2-yl]methoxymethylamino]-2-oxoethyl] carbamate (PubChem CID 175534310) has the molecular formula C9H17N3O5 and a molecular weight of 247.25 g/mol. Its IUPAC name is [2-[[(2S)-morpholin-2-yl]methoxymethylamino]-2-oxoethyl] carbamate.

Molecular Properties

Compound Name[2-[[(2S)-morpholin-2-yl]methoxymethylamino]-2-oxoethyl] carbamate
PubChem CID175534310
Molecular FormulaC9H17N3O5
Molecular Weight247.25 g/mol
Exact Mass247.12
IUPAC Name[2-[[(2S)-morpholin-2-yl]methoxymethylamino]-2-oxoethyl] carbamate
SMILESNC(=O)OCC(=O)NCOC[C@@H]1CNCCO1
InChIInChI=1S/C9H17N3O5/c10-9(14)17-5-8(13)12-6-15-4-7-3-11-1-2-16-7/h7,11H,1-6H2,(H2,10,14)(H,12,13)/t7-/m0/s1
InChIKeyXVRGNPYLYBZBQI-ZETCQYMHSA-N
XLogP-1.84
TPSA111.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-(morpholin-2-ylmethoxymethylamino)-2-oxoethyl]carbamic acid
CID 170170321
N-(cyclopropylmethyl)-2-(morpholin-2-ylmethoxy)acetamide
CID 114468528
N-(3-methoxypropyl)-2-(morpholin-2-ylmethoxy)acetamide
CID 114468751
N-ethyl-3-(morpholin-2-ylmethoxy)propanamide
CID 114468828
N-(3-methylbutan-2-yl)-2-(morpholin-2-ylmethoxy)acetamide
CID 114468689
N-(morpholin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103206342
bis(morpholin-2-ylmethyl) (Z)-but-2-enedioate
CID 66662905
2-(morpholin-2-ylmethoxy)-1-pyrrolidin-1-ylethanone
CID 114468321
1-morpholin-4-yl-2-(morpholin-2-ylmethoxy)ethanone
CID 114468308
2-morpholin-2-ylacetohydrazide
CID 66428542
2-(2,2,2-trifluoroethoxymethyl)morpholine
CID 64532651
(2S)-2-(methoxymethyl)morpholine
CID 10103206

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-morpholin-2-yl]methoxymethylamino]-2-oxoethyl] carbamate?
The IUPAC name of [2-[[(2S)-morpholin-2-yl]methoxymethylamino]-2-oxoethyl] carbamate (CID 175534310) is [2-[[(2S)-morpholin-2-yl]methoxymethylamino]-2-oxoethyl] carbamate.
What is the SMILES notation for [2-[[(2S)-morpholin-2-yl]methoxymethylamino]-2-oxoethyl] carbamate?
The canonical SMILES for [2-[[(2S)-morpholin-2-yl]methoxymethylamino]-2-oxoethyl] carbamate is NC(=O)OCC(=O)NCOC[C@@H]1CNCCO1.
What is the InChIKey of [2-[[(2S)-morpholin-2-yl]methoxymethylamino]-2-oxoethyl] carbamate?
The InChIKey is XVRGNPYLYBZBQI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17N3O5/c10-9(14)17-5-8(13)12-6-15-4-7-3-11-1-2-16-7/h7,11H,1-6H2,(H2,10,14)(H,12,13)/t7-/m0/s1.
What are the key properties of [2-[[(2S)-morpholin-2-yl]methoxymethylamino]-2-oxoethyl] carbamate?
[2-[[(2S)-morpholin-2-yl]methoxymethylamino]-2-oxoethyl] carbamate has a molecular weight of 247.25 g/mol, XLogP of -1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-morpholin-2-yl]methoxymethylamino]-2-oxoethyl] carbamate is sourced from PubChem (CID 175534310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).