[2-(morpholin-2-ylmethoxymethylamino)-2-oxoethyl]carbamic acid

C9H17N3O5 — CID 170170321

IUPAC[2-(morpholin-2-ylmethoxymethylamino)-2-oxoethyl]carbamic acid
SMILESO=C(O)NCC(=O)NCOCC1CNCCO1
InChIInChI=1S/C9H17N3O5/c13-8(4-11-9(14)15)12-6-16-5-7-3-10-1-2-17-7/h7,10-11H,1-6H2,(H,12,13)(H,14,15)
InChIKeyFIRLPAFYUOHKGM-UHFFFAOYSA-N
MW247.25 g/mol
LogP-1.67
Rot. Bonds6

About [2-(morpholin-2-ylmethoxymethylamino)-2-oxoethyl]carbamic acid

[2-(morpholin-2-ylmethoxymethylamino)-2-oxoethyl]carbamic acid (PubChem CID 170170321) has the molecular formula C9H17N3O5 and a molecular weight of 247.25 g/mol. Its IUPAC name is [2-(morpholin-2-ylmethoxymethylamino)-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name[2-(morpholin-2-ylmethoxymethylamino)-2-oxoethyl]carbamic acid
PubChem CID170170321
Molecular FormulaC9H17N3O5
Molecular Weight247.25 g/mol
Exact Mass247.12
IUPAC Name[2-(morpholin-2-ylmethoxymethylamino)-2-oxoethyl]carbamic acid
SMILESO=C(O)NCC(=O)NCOCC1CNCCO1
InChIInChI=1S/C9H17N3O5/c13-8(4-11-9(14)15)12-6-16-5-7-3-10-1-2-17-7/h7,10-11H,1-6H2,(H,12,13)(H,14,15)
InChIKeyFIRLPAFYUOHKGM-UHFFFAOYSA-N
XLogP-1.67
TPSA108.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-1.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[[(2S)-morpholin-2-yl]methoxymethylamino]-2-oxoethyl] carbamate
CID 175534310
N-(cyclopropylmethyl)-2-(morpholin-2-ylmethoxy)acetamide
CID 114468528
N-ethyl-3-(morpholin-2-ylmethoxy)propanamide
CID 114468828
N-(3-methoxypropyl)-2-(morpholin-2-ylmethoxy)acetamide
CID 114468751
N-(3-methylbutan-2-yl)-2-(morpholin-2-ylmethoxy)acetamide
CID 114468689
N-[2-(2-hydroxyethoxy)ethyl]-2-morpholin-2-ylacetamide
CID 66428304
(2R)-2-(cyclopropylmethoxymethyl)morpholine
CID 95369053
2-(2-propoxyethoxymethyl)morpholine
CID 64534869
bis(morpholin-2-ylmethyl) (Z)-but-2-enedioate
CID 66662905
ethyl 3-[(2S)-morpholin-2-yl]propanoate
CID 118409650
2-(morpholin-2-ylmethoxy)-1-pyrrolidin-1-ylethanone
CID 114468321
1-morpholin-4-yl-2-(morpholin-2-ylmethoxy)ethanone
CID 114468308

Frequently Asked Questions

What is the IUPAC name of [2-(morpholin-2-ylmethoxymethylamino)-2-oxoethyl]carbamic acid?
The IUPAC name of [2-(morpholin-2-ylmethoxymethylamino)-2-oxoethyl]carbamic acid (CID 170170321) is [2-(morpholin-2-ylmethoxymethylamino)-2-oxoethyl]carbamic acid.
What is the SMILES notation for [2-(morpholin-2-ylmethoxymethylamino)-2-oxoethyl]carbamic acid?
The canonical SMILES for [2-(morpholin-2-ylmethoxymethylamino)-2-oxoethyl]carbamic acid is O=C(O)NCC(=O)NCOCC1CNCCO1.
What is the InChIKey of [2-(morpholin-2-ylmethoxymethylamino)-2-oxoethyl]carbamic acid?
The InChIKey is FIRLPAFYUOHKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O5/c13-8(4-11-9(14)15)12-6-16-5-7-3-10-1-2-17-7/h7,10-11H,1-6H2,(H,12,13)(H,14,15).
What are the key properties of [2-(morpholin-2-ylmethoxymethylamino)-2-oxoethyl]carbamic acid?
[2-(morpholin-2-ylmethoxymethylamino)-2-oxoethyl]carbamic acid has a molecular weight of 247.25 g/mol, XLogP of -1.67, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(morpholin-2-ylmethoxymethylamino)-2-oxoethyl]carbamic acid is sourced from PubChem (CID 170170321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).