(3S,4S)-1-(5-methoxypyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid

C13H19N3O3 — CID 72936986

IUPAC(3S,4S)-1-(5-methoxypyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
SMILESCCC[C@@H]1CN(c2ncc(OC)cn2)C[C@H]1C(=O)O
InChIInChI=1S/C13H19N3O3/c1-3-4-9-7-16(8-11(9)12(17)18)13-14-5-10(19-2)6-15-13/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,17,18)/t9-,11-/m1/s1
InChIKeyKIPBWBDHRFGNPR-MWLCHTKSSA-N
MW265.31 g/mol
LogP1.42
Rot. Bonds5

About (3S,4S)-1-(5-methoxypyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid

(3S,4S)-1-(5-methoxypyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid (PubChem CID 72936986) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (3S,4S)-1-(5-methoxypyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-1-(5-methoxypyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
PubChem CID72936986
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(3S,4S)-1-(5-methoxypyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
SMILESCCC[C@@H]1CN(c2ncc(OC)cn2)C[C@H]1C(=O)O
InChIInChI=1S/C13H19N3O3/c1-3-4-9-7-16(8-11(9)12(17)18)13-14-5-10(19-2)6-15-13/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,17,18)/t9-,11-/m1/s1
InChIKeyKIPBWBDHRFGNPR-MWLCHTKSSA-N
XLogP1.42
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-1-(5-methoxypyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S*,4S*)-4-isopropyl-1-{[2-(methoxymethyl)-5-pyrimidinyl]methyl}-3-pyrrolidinecarboxylic acid
CID 72866859
2-[5-(Difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylic acid
CID 137356932
Ethyl 2-(5-hydroxypyrimidin-2-yl)cyclobutane-1-carboxylate
CID 137356965
5,5-Dimethylhexanoic acid;5-methoxypyrimidin-2-amine
CID 172309255
tert-butyl (2S)-1-(5-hydroxypyrimidin-2-yl)-2-methylpiperidine-4-carboxylate
CID 178116381
(3S*,4S*)-4-cyclopropyl-1-(pyrimidin-5-ylmethyl)pyrrolidine-3-carboxylic acid
CID 70750493
3-(Cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid
CID 72913871
(3aR,6aR)-2-ethyl-5-(5-methoxypyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72919396
(3S*,4S*)-1-[(2-amino-5-pyrimidinyl)methyl]-4-propyl-3-pyrrolidinecarboxylic acid
CID 72925098
3-(5-Methoxypyrimidin-2-yl)-2-methylpropanoic acid
CID 84773888
3-(5-Methoxypyrimidin-2-yl)butanoic acid
CID 84773889
2-(5-Methoxypyrimidin-2-yl)butanoic acid
CID 84773890

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(5-methoxypyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-1-(5-methoxypyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid (CID 72936986) is (3S,4S)-1-(5-methoxypyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-1-(5-methoxypyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-1-(5-methoxypyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid is CCC[C@@H]1CN(c2ncc(OC)cn2)C[C@H]1C(=O)O.
What is the InChIKey of (3S,4S)-1-(5-methoxypyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid?
The InChIKey is KIPBWBDHRFGNPR-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-4-9-7-16(8-11(9)12(17)18)13-14-5-10(19-2)6-15-13/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,17,18)/t9-,11-/m1/s1.
What are the key properties of (3S,4S)-1-(5-methoxypyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid?
(3S,4S)-1-(5-methoxypyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(5-methoxypyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 72936986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).