1-(5-amino-4-methylpentanoyl)-2-ethylpyrrolidine-2-carboxylic acid

C13H24N2O3 — CID 83071106

IUPAC1-(5-amino-4-methylpentanoyl)-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)CCC(C)CN
InChIInChI=1S/C13H24N2O3/c1-3-13(12(17)18)7-4-8-15(13)11(16)6-5-10(2)9-14/h10H,3-9,14H2,1-2H3,(H,17,18)
InChIKeyDGNKPVGFXCMQRV-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.22
Rot. Bonds6

About 1-(5-amino-4-methylpentanoyl)-2-ethylpyrrolidine-2-carboxylic acid

1-(5-amino-4-methylpentanoyl)-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 83071106) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(5-amino-4-methylpentanoyl)-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-4-methylpentanoyl)-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID83071106
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(5-amino-4-methylpentanoyl)-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)CCC(C)CN
InChIInChI=1S/C13H24N2O3/c1-3-13(12(17)18)7-4-8-15(13)11(16)6-5-10(2)9-14/h10H,3-9,14H2,1-2H3,(H,17,18)
InChIKeyDGNKPVGFXCMQRV-UHFFFAOYSA-N
XLogP1.22
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83071327
1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070500
1-[3-(aminomethyl)pentanoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070345
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
1-(3-cyclopentylpropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83075961
1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070879
2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83076112
1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83071100
2-ethyl-1-[2-(ethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 83070348
1-(5-amino-4-methylpentanoyl)-3-propylpiperidine-3-carboxylic acid
CID 82012183
1-[bis(2-methylpropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064135
1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 113353589

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-methylpentanoyl)-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-amino-4-methylpentanoyl)-2-ethylpyrrolidine-2-carboxylic acid (CID 83071106) is 1-(5-amino-4-methylpentanoyl)-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-amino-4-methylpentanoyl)-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-amino-4-methylpentanoyl)-2-ethylpyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)CCC(C)CN.
What is the InChIKey of 1-(5-amino-4-methylpentanoyl)-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is DGNKPVGFXCMQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-13(12(17)18)7-4-8-15(13)11(16)6-5-10(2)9-14/h10H,3-9,14H2,1-2H3,(H,17,18).
What are the key properties of 1-(5-amino-4-methylpentanoyl)-2-ethylpyrrolidine-2-carboxylic acid?
1-(5-amino-4-methylpentanoyl)-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4-methylpentanoyl)-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83071106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).