1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid

C13H24N2O3 — CID 55167103

IUPAC1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)[C@@H](N)C(C)C)C1
InChIInChI=1S/C13H24N2O3/c1-4-5-13(12(17)18)6-7-15(8-13)11(16)10(14)9(2)3/h9-10H,4-8,14H2,1-3H3,(H,17,18)/t10-,13?/m0/s1
InChIKeyOPXLFIBWZZMFOX-NKUHCKNESA-N
MW256.35 g/mol
LogP1.07
Rot. Bonds5

About 1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid

1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 55167103) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID55167103
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)[C@@H](N)C(C)C)C1
InChIInChI=1S/C13H24N2O3/c1-4-5-13(12(17)18)6-7-15(8-13)11(16)10(14)9(2)3/h9-10H,4-8,14H2,1-3H3,(H,17,18)/t10-,13?/m0/s1
InChIKeyOPXLFIBWZZMFOX-NKUHCKNESA-N
XLogP1.07
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-acetamido-3-methylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145817
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propylpiperidine-3-carboxylic acid
CID 63138201
1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic acid
CID 104903455
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
1-[butan-2-yl(ethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149265
1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981591
1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65064430
1-[2-hydroxyethyl(methyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149367
1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147482
3-propyl-1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63144947
1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 63148765
1-[2-(aminomethyl)-3-methylbutanoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 65228357

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid (CID 55167103) is 1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)[C@@H](N)C(C)C)C1.
What is the InChIKey of 1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is OPXLFIBWZZMFOX-NKUHCKNESA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-5-13(12(17)18)6-7-15(8-13)11(16)10(14)9(2)3/h9-10H,4-8,14H2,1-3H3,(H,17,18)/t10-,13?/m0/s1.
What are the key properties of 1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid?
1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55167103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).