morpholin-3-ylmethylurea

C6H13N3O2 — CID 103548775

IUPACmorpholin-3-ylmethylurea
SMILESNC(=O)NCC1COCCN1
InChIInChI=1S/C6H13N3O2/c7-6(10)9-3-5-4-11-2-1-8-5/h5,8H,1-4H2,(H3,7,9,10)
InChIKeyZQPOTGPIICFMQB-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.36
Rot. Bonds2

About morpholin-3-ylmethylurea

morpholin-3-ylmethylurea (PubChem CID 103548775) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is morpholin-3-ylmethylurea.

Molecular Properties

Compound Namemorpholin-3-ylmethylurea
PubChem CID103548775
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Namemorpholin-3-ylmethylurea
SMILESNC(=O)NCC1COCCN1
InChIInChI=1S/C6H13N3O2/c7-6(10)9-3-5-4-11-2-1-8-5/h5,8H,1-4H2,(H3,7,9,10)
InChIKeyZQPOTGPIICFMQB-UHFFFAOYSA-N
XLogP-1.36
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-(morpholin-3-ylmethyl)urea
CID 103548754
2-methyl-N-[[(3S)-morpholin-3-yl]methyl]propanamide
CID 166764726
2-cyclopropyl-N-(morpholin-3-ylmethyl)acetamide
CID 103548657
2,2,3,3-tetramethyl-N-(morpholin-3-ylmethyl)cyclopropane-1-carboxamide
CID 103548670
2-[(3S)-morpholin-3-yl]acetamide
CID 96824646
N-(morpholin-3-ylmethyl)but-3-enamide
CID 103548351
2-methyl-N-(morpholin-3-ylmethyl)cyclopropane-1-carboxamide
CID 103548262
1-(morpholin-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 103548783
5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide
CID 103548570
1-(1-adamantyl)-3-(morpholin-3-ylmethyl)urea
CID 103548771
5-methyl-N-(morpholin-3-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 103548596
5-methyl-N-(morpholin-3-ylmethyl)oxolane-3-carboxamide
CID 103548749

Frequently Asked Questions

What is the IUPAC name of morpholin-3-ylmethylurea?
The IUPAC name of morpholin-3-ylmethylurea (CID 103548775) is morpholin-3-ylmethylurea.
What is the SMILES notation for morpholin-3-ylmethylurea?
The canonical SMILES for morpholin-3-ylmethylurea is NC(=O)NCC1COCCN1.
What is the InChIKey of morpholin-3-ylmethylurea?
The InChIKey is ZQPOTGPIICFMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c7-6(10)9-3-5-4-11-2-1-8-5/h5,8H,1-4H2,(H3,7,9,10).
What are the key properties of morpholin-3-ylmethylurea?
morpholin-3-ylmethylurea has a molecular weight of 159.19 g/mol, XLogP of -1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-3-ylmethylurea is sourced from PubChem (CID 103548775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).