(2R,4S,5R)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-propylpyrrolidine-2-carboxylic acid

C17H32N2O3 — CID 23384579

IUPAC(2R,4S,5R)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-propylpyrrolidine-2-carboxylic acid
SMILESCCC[C@H]1C[C@H](C(=O)O)N[C@H]1[C@H](CC(CC)CC)NC(C)=O
InChIInChI=1S/C17H32N2O3/c1-5-8-13-10-15(17(21)22)19-16(13)14(18-11(4)20)9-12(6-2)7-3/h12-16,19H,5-10H2,1-4H3,(H,18,20)(H,21,22)/t13-,14-,15+,16+/m0/s1
InChIKeyXVHQLLLMLZFMLF-CAOSSQGBSA-N
MW312.45 g/mol
LogP2.55
Rot. Bonds9

About (2R,4S,5R)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-propylpyrrolidine-2-carboxylic acid

(2R,4S,5R)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-propylpyrrolidine-2-carboxylic acid (PubChem CID 23384579) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is (2R,4S,5R)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S,5R)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-propylpyrrolidine-2-carboxylic acid
PubChem CID23384579
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name(2R,4S,5R)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-propylpyrrolidine-2-carboxylic acid
SMILESCCC[C@H]1C[C@H](C(=O)O)N[C@H]1[C@H](CC(CC)CC)NC(C)=O
InChIInChI=1S/C17H32N2O3/c1-5-8-13-10-15(17(21)22)19-16(13)14(18-11(4)20)9-12(6-2)7-3/h12-16,19H,5-10H2,1-4H3,(H,18,20)(H,21,22)/t13-,14-,15+,16+/m0/s1
InChIKeyXVHQLLLMLZFMLF-CAOSSQGBSA-N
XLogP2.55
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R,4S,5R)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-propylpyrrolidine-2-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

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4S,5R)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-propylpyrrolidine-2-carboxylic acid (CID 23384579) is (2R,4S,5R)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S,5R)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4S,5R)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-propylpyrrolidine-2-carboxylic acid is CCC[C@H]1C[C@H](C(=O)O)N[C@H]1[C@H](CC(CC)CC)NC(C)=O.
What is the InChIKey of (2R,4S,5R)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-propylpyrrolidine-2-carboxylic acid?
The InChIKey is XVHQLLLMLZFMLF-CAOSSQGBSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-5-8-13-10-15(17(21)22)19-16(13)14(18-11(4)20)9-12(6-2)7-3/h12-16,19H,5-10H2,1-4H3,(H,18,20)(H,21,22)/t13-,14-,15+,16+/m0/s1.
What are the key properties of (2R,4S,5R)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-propylpyrrolidine-2-carboxylic acid?
(2R,4S,5R)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-propylpyrrolidine-2-carboxylic acid has a molecular weight of 312.45 g/mol, XLogP of 2.55, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-5-[(1S)-1-acetamido-3-ethylpentyl]-4-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 23384579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).