N-[[4-hydroxy-5-(hydroxymethyl)-3-[2-(methoxymethyl)pyrrolidin-1-yl]oxolan-2-yl]methyl]morpholine-4-carboxamide

C17H31N3O6 — CID 74578051

IUPACN-[[4-hydroxy-5-(hydroxymethyl)-3-[2-(methoxymethyl)pyrrolidin-1-yl]oxolan-2-yl]methyl]morpholine-4-carboxamide
SMILESCOCC1CCCN1C1C(CNC(=O)N2CCOCC2)OC(CO)C1O
InChIInChI=1S/C17H31N3O6/c1-24-11-12-3-2-4-20(12)15-13(26-14(10-21)16(15)22)9-18-17(23)19-5-7-25-8-6-19/h12-16,21-22H,2-11H2,1H3,(H,18,23)
InChIKeyRQWXATNNEYFAPZ-UHFFFAOYSA-N
MW373.45 g/mol
LogP-1.37
Rot. Bonds6

About N-[[4-hydroxy-5-(hydroxymethyl)-3-[2-(methoxymethyl)pyrrolidin-1-yl]oxolan-2-yl]methyl]morpholine-4-carboxamide

N-[[4-hydroxy-5-(hydroxymethyl)-3-[2-(methoxymethyl)pyrrolidin-1-yl]oxolan-2-yl]methyl]morpholine-4-carboxamide (PubChem CID 74578051) has the molecular formula C17H31N3O6 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[[4-hydroxy-5-(hydroxymethyl)-3-[2-(methoxymethyl)pyrrolidin-1-yl]oxolan-2-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-hydroxy-5-(hydroxymethyl)-3-[2-(methoxymethyl)pyrrolidin-1-yl]oxolan-2-yl]methyl]morpholine-4-carboxamide
PubChem CID74578051
Molecular FormulaC17H31N3O6
Molecular Weight373.45 g/mol
Exact Mass373.22
IUPAC NameN-[[4-hydroxy-5-(hydroxymethyl)-3-[2-(methoxymethyl)pyrrolidin-1-yl]oxolan-2-yl]methyl]morpholine-4-carboxamide
SMILESCOCC1CCCN1C1C(CNC(=O)N2CCOCC2)OC(CO)C1O
InChIInChI=1S/C17H31N3O6/c1-24-11-12-3-2-4-20(12)15-13(26-14(10-21)16(15)22)9-18-17(23)19-5-7-25-8-6-19/h12-16,21-22H,2-11H2,1H3,(H,18,23)
InChIKeyRQWXATNNEYFAPZ-UHFFFAOYSA-N
XLogP-1.37
TPSA103.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[4-hydroxy-5-(hydroxymethyl)-3-[2-(methoxymethyl)pyrrolidin-1-yl]oxolan-2-yl]methyl]morpholine-4-carboxamide with MolForge

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Related Compounds

(2S,3S,4R,5R)-2-(hydroxymethyl)-4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5-[(oxan-4-ylamino)methyl]oxolan-3-ol;dihydrochloride
CID 146118726
1-(3-chlorophenyl)-3-[[(2R,3S,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxolan-2-yl]methyl]urea
CID 162796901
1-[[(2R,3S,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxolan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 162810372
N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]methyl]-2-methoxyacetamide;hydrochloride
CID 146118565
N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 28961954
N-[[4-hydroxy-5-(hydroxymethyl)-3-pyrrolidin-1-yloxolan-2-yl]methyl]-2-methoxyacetamide
CID 74577869
N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-pyrrolidin-1-yloxolan-2-yl]methyl]-2-methoxyacetamide;hydrochloride
CID 146118634
(2S,3S,4R,5R)-2-(hydroxymethyl)-4-morpholin-4-yl-5-[(propan-2-ylamino)methyl]oxolan-3-ol
CID 28961377
N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-yl]methyl]morpholine-4-carboxamide;dihydrochloride
CID 146118760
1-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-pyrrolidin-1-yloxolan-2-yl]methyl]-3-propan-2-ylurea
CID 28961554
N-[[3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 162967431
2-(methoxymethyl)-1-(oxetan-3-yl)pyrrolidine
CID 147106850

Frequently Asked Questions

What is the IUPAC name of N-[[4-hydroxy-5-(hydroxymethyl)-3-[2-(methoxymethyl)pyrrolidin-1-yl]oxolan-2-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[4-hydroxy-5-(hydroxymethyl)-3-[2-(methoxymethyl)pyrrolidin-1-yl]oxolan-2-yl]methyl]morpholine-4-carboxamide (CID 74578051) is N-[[4-hydroxy-5-(hydroxymethyl)-3-[2-(methoxymethyl)pyrrolidin-1-yl]oxolan-2-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[4-hydroxy-5-(hydroxymethyl)-3-[2-(methoxymethyl)pyrrolidin-1-yl]oxolan-2-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[4-hydroxy-5-(hydroxymethyl)-3-[2-(methoxymethyl)pyrrolidin-1-yl]oxolan-2-yl]methyl]morpholine-4-carboxamide is COCC1CCCN1C1C(CNC(=O)N2CCOCC2)OC(CO)C1O.
What is the InChIKey of N-[[4-hydroxy-5-(hydroxymethyl)-3-[2-(methoxymethyl)pyrrolidin-1-yl]oxolan-2-yl]methyl]morpholine-4-carboxamide?
The InChIKey is RQWXATNNEYFAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O6/c1-24-11-12-3-2-4-20(12)15-13(26-14(10-21)16(15)22)9-18-17(23)19-5-7-25-8-6-19/h12-16,21-22H,2-11H2,1H3,(H,18,23).
What are the key properties of N-[[4-hydroxy-5-(hydroxymethyl)-3-[2-(methoxymethyl)pyrrolidin-1-yl]oxolan-2-yl]methyl]morpholine-4-carboxamide?
N-[[4-hydroxy-5-(hydroxymethyl)-3-[2-(methoxymethyl)pyrrolidin-1-yl]oxolan-2-yl]methyl]morpholine-4-carboxamide has a molecular weight of 373.45 g/mol, XLogP of -1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-hydroxy-5-(hydroxymethyl)-3-[2-(methoxymethyl)pyrrolidin-1-yl]oxolan-2-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 74578051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).