N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]morpholine-3-carboxamide

C9H18N2O5 — CID 107852767

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]morpholine-3-carboxamide
SMILESO=C(NC(CO)(CO)CO)C1COCCN1
InChIInChI=1S/C9H18N2O5/c12-4-9(5-13,6-14)11-8(15)7-3-16-2-1-10-7/h7,10,12-14H,1-6H2,(H,11,15)
InChIKeyLFWQANOEKUUUBU-UHFFFAOYSA-N
MW234.25 g/mol
LogP-3.19
Rot. Bonds5

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]morpholine-3-carboxamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]morpholine-3-carboxamide (PubChem CID 107852767) has the molecular formula C9H18N2O5 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]morpholine-3-carboxamide
PubChem CID107852767
Molecular FormulaC9H18N2O5
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]morpholine-3-carboxamide
SMILESO=C(NC(CO)(CO)CO)C1COCCN1
InChIInChI=1S/C9H18N2O5/c12-4-9(5-13,6-14)11-8(15)7-3-16-2-1-10-7/h7,10,12-14H,1-6H2,(H,11,15)
InChIKeyLFWQANOEKUUUBU-UHFFFAOYSA-N
XLogP-3.19
TPSA111.05 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-3.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-Bis(hydroxymethyl)-2,5-piperazinedione
CID 138542
(3R,6S)-3,6-Bis(hydroxymethyl)piperazine-2,5-dione
CID 12315471
(6S)-6-(hydroxymethyl)-2-oxa-5,8-diazaspiro[3.5]nonan-7-one
CID 125515462
N-(2,2-difluoro-3-hydroxypropyl)morpholine-3-carboxamide
CID 106176795
(3S,6S)-3,6-Bis(hydroxymethyl)piperazine-2,5-dione
CID 6992279
tert-butyl 3-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]morpholine-4-carboxylate
CID 57960585
N-[(2S,3R)-3-hydroxy-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide
CID 58677255
methyl (2R)-3-hydroxy-2-[[(3R)-morpholine-3-carbonyl]amino]propanoate
CID 59215847
tert-butyl 3-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]morpholine-4-carboxylate
CID 59215862
(S)-2-(2-Amino-2-methyl-propionylamino)-3-hydroxy-propionic acid ethyl ester
CID 59740172
N-(2-hydroxyethyl)morpholine-3-carboxamide
CID 65518573
N-tert-butylmorpholine-3-carboxamide
CID 65519164

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]morpholine-3-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]morpholine-3-carboxamide (CID 107852767) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]morpholine-3-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]morpholine-3-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]morpholine-3-carboxamide is O=C(NC(CO)(CO)CO)C1COCCN1.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]morpholine-3-carboxamide?
The InChIKey is LFWQANOEKUUUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5/c12-4-9(5-13,6-14)11-8(15)7-3-16-2-1-10-7/h7,10,12-14H,1-6H2,(H,11,15).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]morpholine-3-carboxamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]morpholine-3-carboxamide has a molecular weight of 234.25 g/mol, XLogP of -3.19, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]morpholine-3-carboxamide is sourced from PubChem (CID 107852767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).