ethane;morpholine-2-carboxylic acid

C7H15NO3 — CID 170608685

IUPACethane;morpholine-2-carboxylic acid
SMILESCC.O=C(O)C1CNCCO1
InChIInChI=1S/C5H9NO3.C2H6/c7-5(8)4-3-6-1-2-9-4;1-2/h4,6H,1-3H2,(H,7,8);1-2H3
InChIKeyKMMXZZLGKAMIAD-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.09
Rot. Bonds1

About ethane;morpholine-2-carboxylic acid

ethane;morpholine-2-carboxylic acid (PubChem CID 170608685) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is ethane;morpholine-2-carboxylic acid.

Molecular Properties

Compound Nameethane;morpholine-2-carboxylic acid
PubChem CID170608685
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Nameethane;morpholine-2-carboxylic acid
SMILESCC.O=C(O)C1CNCCO1
InChIInChI=1S/C5H9NO3.C2H6/c7-5(8)4-3-6-1-2-9-4;1-2/h4,6H,1-3H2,(H,7,8);1-2H3
InChIKeyKMMXZZLGKAMIAD-UHFFFAOYSA-N
XLogP0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-morpholin-2-ylethanone
CID 143224838
N,N-dimethylmorpholine-2-carboxamide;ethane
CID 144883589
(2R)-morpholine-2-carboxamide
CID 51600069
2-morpholin-2-ylprop-2-enoic acid
CID 175579148
N,N-dimethylmorpholine-2-carboxamide;hydrochloride
CID 71298970
2-morpholin-2-yl-2-oxoacetaldehyde
CID 19972079
1-morpholin-2-ylbut-2-en-1-one
CID 70502586
2-prop-1-en-2-ylmorpholine;hydrochloride
CID 154577477
2-cyclobutyl-1-morpholin-2-ylethanone
CID 116561623
morpholin-2-yl(piperidin-1-yl)methanone;hydrochloride
CID 71298615
1,3-di(morpholin-2-yl)propan-1-one
CID 174895095
ethyl morpholine-2-carboxylate;dihydrochloride
CID 127258967

Frequently Asked Questions

What is the IUPAC name of ethane;morpholine-2-carboxylic acid?
The IUPAC name of ethane;morpholine-2-carboxylic acid (CID 170608685) is ethane;morpholine-2-carboxylic acid.
What is the SMILES notation for ethane;morpholine-2-carboxylic acid?
The canonical SMILES for ethane;morpholine-2-carboxylic acid is CC.O=C(O)C1CNCCO1.
What is the InChIKey of ethane;morpholine-2-carboxylic acid?
The InChIKey is KMMXZZLGKAMIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3.C2H6/c7-5(8)4-3-6-1-2-9-4;1-2/h4,6H,1-3H2,(H,7,8);1-2H3.
What are the key properties of ethane;morpholine-2-carboxylic acid?
ethane;morpholine-2-carboxylic acid has a molecular weight of 161.20 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;morpholine-2-carboxylic acid is sourced from PubChem (CID 170608685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).