(2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylic acid

C9H15NO5 — CID 68708136

IUPAC(2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)N1CCC[C@@]1(CCCO)C(=O)O
InChIInChI=1S/C9H15NO5/c11-6-2-4-9(7(12)13)3-1-5-10(9)8(14)15/h11H,1-6H2,(H,12,13)(H,14,15)/t9-/m1/s1
InChIKeyDVFUHLHQALFXCF-SECBINFHSA-N
MW217.22 g/mol
LogP0.36
Rot. Bonds4

About (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylic acid

(2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylic acid (PubChem CID 68708136) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylic acid
PubChem CID68708136
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name(2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)N1CCC[C@@]1(CCCO)C(=O)O
InChIInChI=1S/C9H15NO5/c11-6-2-4-9(7(12)13)3-1-5-10(9)8(14)15/h11H,1-6H2,(H,12,13)(H,14,15)/t9-/m1/s1
InChIKeyDVFUHLHQALFXCF-SECBINFHSA-N
XLogP0.36
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
(2R)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxylic acid
CID 57420331
2-butyl-2-methoxycarbonylpyrrolidine-1-carboxylic acid
CID 142762998
(2R)-2-[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]pyrrolidine-1,2-dicarboxylic acid
CID 67916668
2-ethyl-1-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114230432
1-(2-bromoacetyl)-2-(hydroxymethyl)pyrrolidine-2-carboxylic acid
CID 172854338
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 102865159
1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976148
1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977296
2-hexyl-1-methylpyrrolidine-2-carboxylic acid
CID 68621509

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylic acid (CID 68708136) is (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylic acid is O=C(O)N1CCC[C@@]1(CCCO)C(=O)O.
What is the InChIKey of (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylic acid?
The InChIKey is DVFUHLHQALFXCF-SECBINFHSA-N. The full InChI is InChI=1S/C9H15NO5/c11-6-2-4-9(7(12)13)3-1-5-10(9)8(14)15/h11H,1-6H2,(H,12,13)(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylic acid?
(2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylic acid has a molecular weight of 217.22 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 68708136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).