cis-(1S,2R)-3-(morpholine-4-carbonyl)cyclopropane-1,2-dicarboxylic acid

C10H13NO6 — CID 91463225

IUPACcis-(1S,2R)-3-(morpholine-4-carbonyl)cyclopropane-1,2-dicarboxylic acid
SMILESO=C(O)[C@@H]1C(C(=O)N2CCOCC2)[C@@H]1C(=O)O
InChIInChI=1S/C10H13NO6/c12-8(11-1-3-17-4-2-11)5-6(9(13)14)7(5)10(15)16/h5-7H,1-4H2,(H,13,14)(H,15,16)/t5?,6-,7+
InChIKeyDNNSFYIFFQHZKJ-DGUCWDHESA-N
MW243.21 g/mol
LogP-1.12
Rot. Bonds3

About cis-(1S,2R)-3-(morpholine-4-carbonyl)cyclopropane-1,2-dicarboxylic acid

cis-(1S,2R)-3-(morpholine-4-carbonyl)cyclopropane-1,2-dicarboxylic acid (PubChem CID 91463225) has the molecular formula C10H13NO6 and a molecular weight of 243.21 g/mol. Its IUPAC name is cis-(1S,2R)-3-(morpholine-4-carbonyl)cyclopropane-1,2-dicarboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-3-(morpholine-4-carbonyl)cyclopropane-1,2-dicarboxylic acid
PubChem CID91463225
Molecular FormulaC10H13NO6
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Namecis-(1S,2R)-3-(morpholine-4-carbonyl)cyclopropane-1,2-dicarboxylic acid
SMILESO=C(O)[C@@H]1C(C(=O)N2CCOCC2)[C@@H]1C(=O)O
InChIInChI=1S/C10H13NO6/c12-8(11-1-3-17-4-2-11)5-6(9(13)14)7(5)10(15)16/h5-7H,1-4H2,(H,13,14)(H,15,16)/t5?,6-,7+
InChIKeyDNNSFYIFFQHZKJ-DGUCWDHESA-N
XLogP-1.12
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-3-(morpholine-4-carbonyl)cyclopropane-1,2-dicarboxylic acid?
The IUPAC name of cis-(1S,2R)-3-(morpholine-4-carbonyl)cyclopropane-1,2-dicarboxylic acid (CID 91463225) is cis-(1S,2R)-3-(morpholine-4-carbonyl)cyclopropane-1,2-dicarboxylic acid.
What is the SMILES notation for cis-(1S,2R)-3-(morpholine-4-carbonyl)cyclopropane-1,2-dicarboxylic acid?
The canonical SMILES for cis-(1S,2R)-3-(morpholine-4-carbonyl)cyclopropane-1,2-dicarboxylic acid is O=C(O)[C@@H]1C(C(=O)N2CCOCC2)[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-3-(morpholine-4-carbonyl)cyclopropane-1,2-dicarboxylic acid?
The InChIKey is DNNSFYIFFQHZKJ-DGUCWDHESA-N. The full InChI is InChI=1S/C10H13NO6/c12-8(11-1-3-17-4-2-11)5-6(9(13)14)7(5)10(15)16/h5-7H,1-4H2,(H,13,14)(H,15,16)/t5?,6-,7+.
What are the key properties of cis-(1S,2R)-3-(morpholine-4-carbonyl)cyclopropane-1,2-dicarboxylic acid?
cis-(1S,2R)-3-(morpholine-4-carbonyl)cyclopropane-1,2-dicarboxylic acid has a molecular weight of 243.21 g/mol, XLogP of -1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-3-(morpholine-4-carbonyl)cyclopropane-1,2-dicarboxylic acid is sourced from PubChem (CID 91463225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).