hydroxymethyl 3-morpholin-4-ylpropanoate

C8H15NO4 — CID 166468401

IUPAChydroxymethyl 3-morpholin-4-ylpropanoate
SMILESO=C(CCN1CCOCC1)OCO
InChIInChI=1S/C8H15NO4/c10-7-13-8(11)1-2-9-3-5-12-6-4-9/h10H,1-7H2
InChIKeyPUGQSGGWTSBWEB-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.80
Rot. Bonds4

About hydroxymethyl 3-morpholin-4-ylpropanoate

hydroxymethyl 3-morpholin-4-ylpropanoate (PubChem CID 166468401) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is hydroxymethyl 3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Namehydroxymethyl 3-morpholin-4-ylpropanoate
PubChem CID166468401
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namehydroxymethyl 3-morpholin-4-ylpropanoate
SMILESO=C(CCN1CCOCC1)OCO
InChIInChI=1S/C8H15NO4/c10-7-13-8(11)1-2-9-3-5-12-6-4-9/h10H,1-7H2
InChIKeyPUGQSGGWTSBWEB-UHFFFAOYSA-N
XLogP-0.80
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2,2-bis[3-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)propanoyloxymethyl]-3-[3-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propanoyloxy]propyl] 3-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propanoate
CID 102466071
2-(dimethylamino)ethyl 3-morpholin-4-ylpropanoate
CID 21449218
tetradecyl 3-morpholin-4-ylpropanoate
CID 59204007
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
3-morpholin-4-ylpropanoyl chloride
CID 18967893
ethyl 7-morpholin-4-ylheptanoate;hydrochloride
CID 71385589
3-morpholin-4-ylpropanoyl chloride;hydrochloride
CID 19856369
phenyl 3-morpholin-4-ylpropanoate
CID 12036172
2-[16-[2-(4,4-dimethylpentanoyloxy)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl 4,4-dimethylpentanoate
CID 102070429
2-morpholin-4-ylethyl octanoate
CID 23118480
N-hydroxy-3-morpholin-4-ylpropanamide
CID 131174118
5-morpholin-4-ylpentanehydrazide
CID 63570305

Frequently Asked Questions

What is the IUPAC name of hydroxymethyl 3-morpholin-4-ylpropanoate?
The IUPAC name of hydroxymethyl 3-morpholin-4-ylpropanoate (CID 166468401) is hydroxymethyl 3-morpholin-4-ylpropanoate.
What is the SMILES notation for hydroxymethyl 3-morpholin-4-ylpropanoate?
The canonical SMILES for hydroxymethyl 3-morpholin-4-ylpropanoate is O=C(CCN1CCOCC1)OCO.
What is the InChIKey of hydroxymethyl 3-morpholin-4-ylpropanoate?
The InChIKey is PUGQSGGWTSBWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c10-7-13-8(11)1-2-9-3-5-12-6-4-9/h10H,1-7H2.
What are the key properties of hydroxymethyl 3-morpholin-4-ylpropanoate?
hydroxymethyl 3-morpholin-4-ylpropanoate has a molecular weight of 189.21 g/mol, XLogP of -0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethyl 3-morpholin-4-ylpropanoate is sourced from PubChem (CID 166468401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).