3-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid

C10H13NO6 — CID 123279396

IUPAC3-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid
SMILESO=C(O)C1C(C(=O)O)C1C(=O)N1CCC(O)C1
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)
InChIKeyUJZBRUVSPIAYOO-UHFFFAOYSA-N
MW243.21 g/mol
LogP-1.39
Rot. Bonds3

About 3-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid

3-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid (PubChem CID 123279396) has the molecular formula C10H13NO6 and a molecular weight of 243.21 g/mol. Its IUPAC name is 3-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name3-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid
PubChem CID123279396
Molecular FormulaC10H13NO6
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name3-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid
SMILESO=C(O)C1C(C(=O)O)C1C(=O)N1CCC(O)C1
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)
InChIKeyUJZBRUVSPIAYOO-UHFFFAOYSA-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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Related Compounds

rac-2-[(3R,4S)-4-hydroxy-1-(trifluoroacetyl)pyrrolidin-3-yl]acetic acid
CID 165907895
3-(3-Hydroxyazetidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid
CID 69079289
(2S,4R)-1-(3-carboxy-2-methylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 70609499
cis-(1S,2R)-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1,2-dicarboxylic acid
CID 90919265
cis-(1S,2R)-3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1,2-dicarboxylic acid
CID 91335249
2-[(3R)-1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]acetic acid
CID 164158447
1-(2-Cyclopropylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356863
2-(3-Hydroxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60791588
2-(4-Hydroxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792665
2-[2-Hydroxyethyl(propyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948894
2-[Ethyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60949132
2-[2-Hydroxyethyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60949515

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid?
The IUPAC name of 3-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid (CID 123279396) is 3-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid.
What is the SMILES notation for 3-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid?
The canonical SMILES for 3-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid is O=C(O)C1C(C(=O)O)C1C(=O)N1CCC(O)C1.
What is the InChIKey of 3-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid?
The InChIKey is UJZBRUVSPIAYOO-UHFFFAOYSA-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).
What are the key properties of 3-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid?
3-(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 3-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1,2-dicarboxylic acid is sourced from PubChem (CID 123279396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).