1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid

C11H20N2O3 — CID 82012551

IUPAC1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid
SMILESCC(CN)CCC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-8(6-12)2-3-10(14)13-5-4-9(7-13)11(15)16/h8-9H,2-7,12H2,1H3,(H,15,16)
InChIKeyNBQVNMDUWMTHJW-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.29
Rot. Bonds5

About 1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid

1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 82012551) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid
PubChem CID82012551
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid
SMILESCC(CN)CCC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-8(6-12)2-3-10(14)13-5-4-9(7-13)11(15)16/h8-9H,2-7,12H2,1H3,(H,15,16)
InChIKeyNBQVNMDUWMTHJW-UHFFFAOYSA-N
XLogP0.29
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-amino-4-methylpentanoyl)piperidine-4-carboxamide
CID 82683543
5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one
CID 82011405
5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 82684034
5-amino-1-(4-methoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82017222
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one
CID 107222947
5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one
CID 82689210
1-(5-amino-4-methylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 82688261
N-[1-(5-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 82011596
5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82010948
(3S)-1-[4-(2-aminoethyl)-5-methylhexanoyl]piperidine-3-carboxylic acid
CID 81125711
methyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate
CID 113402198
1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63030606

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid (CID 82012551) is 1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid is CC(CN)CCC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is NBQVNMDUWMTHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(6-12)2-3-10(14)13-5-4-9(7-13)11(15)16/h8-9H,2-7,12H2,1H3,(H,15,16).
What are the key properties of 1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid?
1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.29, 5 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)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82012551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).