trans-(1R,2R)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid

C9H13NO4 — CID 10442746

IUPACtrans-(1R,2R)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C9H13NO4/c11-8(6-5-7(6)9(12)13)10-1-3-14-4-2-10/h6-7H,1-5H2,(H,12,13)/t6-,7-/m1/s1
InChIKeyBSSVAZBQHVEXGY-RNFRBKRXSA-N
MW199.21 g/mol
LogP-0.43
Rot. Bonds2

About trans-(1R,2R)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 10442746) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is trans-(1R,2R)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID10442746
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Nametrans-(1R,2R)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C9H13NO4/c11-8(6-5-7(6)9(12)13)10-1-3-14-4-2-10/h6-7H,1-5H2,(H,12,13)/t6-,7-/m1/s1
InChIKeyBSSVAZBQHVEXGY-RNFRBKRXSA-N
XLogP-0.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid (CID 10442746) is trans-(1R,2R)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of trans-(1R,2R)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is BSSVAZBQHVEXGY-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H13NO4/c11-8(6-5-7(6)9(12)13)10-1-3-14-4-2-10/h6-7H,1-5H2,(H,12,13)/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 10442746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).