1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid

C8H15NO4 — CID 57486049

IUPAC1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CC(O)CO)C1
InChIInChI=1S/C8H15NO4/c10-5-7(11)4-9-2-1-6(3-9)8(12)13/h6-7,10-11H,1-5H2,(H,12,13)
InChIKeyZEDVNFDCSYJCOQ-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.25
Rot. Bonds4

About 1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid

1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid (PubChem CID 57486049) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid
PubChem CID57486049
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CC(O)CO)C1
InChIInChI=1S/C8H15NO4/c10-5-7(11)4-9-2-1-6(3-9)8(12)13/h6-7,10-11H,1-5H2,(H,12,13)
InChIKeyZEDVNFDCSYJCOQ-UHFFFAOYSA-N
XLogP-1.25
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propyl]piperidine-4-carboxylic acid
CID 129236518
3-[(3R)-3-hydroxypyrrolidin-1-yl]propane-1,2-diol
CID 103857755
1-(3-cyclopentyl-2-hydroxypropyl)piperidine-4-carboxylic acid
CID 103159267
3-(3-aminopyrrolidin-1-yl)propane-1,2-diol
CID 115492032
3-(3-methylpyrrolidin-1-yl)propane-1,2-diol
CID 23396961
3-[(3R)-3-aminopyrrolidin-1-yl]propane-1,2-diol
CID 82850969
3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol
CID 115773094
3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol
CID 114511014
(3S)-1-(2-chloroethyl)pyrrolidine-3-carboxylic acid
CID 121473496
1-(2-oxopropyl)pyrrolidine-3-carboxylic acid
CID 121200178
(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
1-(2-benzyl-3-phenylpropyl)pyrrolidine-3-carboxylic acid
CID 122036313

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid (CID 57486049) is 1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(CC(O)CO)C1.
What is the InChIKey of 1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid?
The InChIKey is ZEDVNFDCSYJCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c10-5-7(11)4-9-2-1-6(3-9)8(12)13/h6-7,10-11H,1-5H2,(H,12,13).
What are the key properties of 1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid?
1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid has a molecular weight of 189.21 g/mol, XLogP of -1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 57486049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).