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

C12H23NO4 — CID 163255464

IUPAC(2R)-1-butyl-2-(2,3-dihydroxypropyl)pyrrolidine-2-carboxylic acid
SMILESCCCCN1CCC[C@@]1(CC(O)CO)C(=O)O
InChIInChI=1S/C12H23NO4/c1-2-3-6-13-7-4-5-12(13,11(16)17)8-10(15)9-14/h10,14-15H,2-9H2,1H3,(H,16,17)/t10?,12-/m1/s1
InChIKeyUNARJQPCAKMDAA-TVKKRMFBSA-N
MW245.32 g/mol
LogP0.45
Rot. Bonds7

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

(2R)-1-butyl-2-(2,3-dihydroxypropyl)pyrrolidine-2-carboxylic acid (PubChem CID 163255464) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is (2R)-1-butyl-2-(2,3-dihydroxypropyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-butyl-2-(2,3-dihydroxypropyl)pyrrolidine-2-carboxylic acid
PubChem CID163255464
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name(2R)-1-butyl-2-(2,3-dihydroxypropyl)pyrrolidine-2-carboxylic acid
SMILESCCCCN1CCC[C@@]1(CC(O)CO)C(=O)O
InChIInChI=1S/C12H23NO4/c1-2-3-6-13-7-4-5-12(13,11(16)17)8-10(15)9-14/h10,14-15H,2-9H2,1H3,(H,16,17)/t10?,12-/m1/s1
InChIKeyUNARJQPCAKMDAA-TVKKRMFBSA-N
XLogP0.45
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-octylpyrrolidine-2-carboxylic acid
CID 83079650
1-decyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83080199
1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83080806
1-(2-ethylsulfanylethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979017
1-decyl-2-hydroxypyrrolidine-2-carboxylic acid
CID 66691415
1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070850
2-hexyl-1-methylpyrrolidine-2-carboxylic acid
CID 68621509
1-(2-methoxyethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979011
1-(2-ethylsulfonylethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978791
2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid
CID 83070929
1-ethyl-2-(hydroxymethyl)piperidine-2-carboxylic acid
CID 138632226
2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid
CID 83070563

Frequently Asked Questions

What is the IUPAC name of (2R)-1-butyl-2-(2,3-dihydroxypropyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-butyl-2-(2,3-dihydroxypropyl)pyrrolidine-2-carboxylic acid (CID 163255464) is (2R)-1-butyl-2-(2,3-dihydroxypropyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-butyl-2-(2,3-dihydroxypropyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-butyl-2-(2,3-dihydroxypropyl)pyrrolidine-2-carboxylic acid is CCCCN1CCC[C@@]1(CC(O)CO)C(=O)O.
What is the InChIKey of (2R)-1-butyl-2-(2,3-dihydroxypropyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UNARJQPCAKMDAA-TVKKRMFBSA-N. The full InChI is InChI=1S/C12H23NO4/c1-2-3-6-13-7-4-5-12(13,11(16)17)8-10(15)9-14/h10,14-15H,2-9H2,1H3,(H,16,17)/t10?,12-/m1/s1.
What are the key properties of (2R)-1-butyl-2-(2,3-dihydroxypropyl)pyrrolidine-2-carboxylic acid?
(2R)-1-butyl-2-(2,3-dihydroxypropyl)pyrrolidine-2-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-butyl-2-(2,3-dihydroxypropyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 163255464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).