cis-(1S,2R)-3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1,2-dicarboxylic acid

C10H13NO6 — CID 91335249

IUPACcis-(1S,2R)-3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1,2-dicarboxylic acid
SMILESO=C(O)[C@@H]1C(C(=O)N2CC[C@@H](O)C2)[C@@H]1C(=O)O
InChIInChI=1S/C10H13NO6/c12-4-1-2-11(3-4)8(13)5-6(9(14)15)7(5)10(16)17/h4-7,12H,1-3H2,(H,14,15)(H,16,17)/t4-,5?,6-,7+/m1/s1
InChIKeyUJZBRUVSPIAYOO-ZUMNNYEFSA-N
MW243.21 g/mol
LogP-1.39
Rot. Bonds3

About cis-(1S,2R)-3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1,2-dicarboxylic acid

cis-(1S,2R)-3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1,2-dicarboxylic acid (PubChem CID 91335249) has the molecular formula C10H13NO6 and a molecular weight of 243.21 g/mol. Its IUPAC name is cis-(1S,2R)-3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1,2-dicarboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1,2-dicarboxylic acid
PubChem CID91335249
Molecular FormulaC10H13NO6
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Namecis-(1S,2R)-3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1,2-dicarboxylic acid
SMILESO=C(O)[C@@H]1C(C(=O)N2CC[C@@H](O)C2)[C@@H]1C(=O)O
InChIInChI=1S/C10H13NO6/c12-4-1-2-11(3-4)8(13)5-6(9(14)15)7(5)10(16)17/h4-7,12H,1-3H2,(H,14,15)(H,16,17)/t4-,5?,6-,7+/m1/s1
InChIKeyUJZBRUVSPIAYOO-ZUMNNYEFSA-N
XLogP-1.39
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1,2-dicarboxylic acid?
The IUPAC name of cis-(1S,2R)-3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1,2-dicarboxylic acid (CID 91335249) is cis-(1S,2R)-3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1,2-dicarboxylic acid.
What is the SMILES notation for cis-(1S,2R)-3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1,2-dicarboxylic acid?
The canonical SMILES for cis-(1S,2R)-3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1,2-dicarboxylic acid is O=C(O)[C@@H]1C(C(=O)N2CC[C@@H](O)C2)[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1,2-dicarboxylic acid?
The InChIKey is UJZBRUVSPIAYOO-ZUMNNYEFSA-N. The full InChI is InChI=1S/C10H13NO6/c12-4-1-2-11(3-4)8(13)5-6(9(14)15)7(5)10(16)17/h4-7,12H,1-3H2,(H,14,15)(H,16,17)/t4-,5?,6-,7+/m1/s1.
What are the key properties of cis-(1S,2R)-3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1,2-dicarboxylic acid?
cis-(1S,2R)-3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1,2-dicarboxylic acid has a molecular weight of 243.21 g/mol, XLogP of -1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1,2-dicarboxylic acid is sourced from PubChem (CID 91335249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).