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

C12H22N2O3 — CID 82688261

IUPAC1-(5-amino-4-methylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC(CN)CCC(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-8(5-13)3-4-11(15)14-6-9(2)10(7-14)12(16)17/h8-10H,3-7,13H2,1-2H3,(H,16,17)
InChIKeyYUADNEQGKRUQNE-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds5

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

1-(5-amino-4-methylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 82688261) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(5-amino-4-methylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-4-methylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID82688261
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(5-amino-4-methylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC(CN)CCC(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-8(5-13)3-4-11(15)14-6-9(2)10(7-14)12(16)17/h8-10H,3-7,13H2,1-2H3,(H,16,17)
InChIKeyYUADNEQGKRUQNE-UHFFFAOYSA-N
XLogP0.54
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-methyl-1-(3-propan-2-yloxypropanoyl)pyrrolidine-3-carboxylic acid
CID 120953277
1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid
CID 82012551
(3S,4S)-1-(4,4-dimethylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120953561
1-heptanoyl-4-methylpyrrolidine-3-carboxylic acid
CID 63722075
(3S,4S)-1-(5,5-dimethylhexanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120952384
1-(4-amino-2-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 80544995
4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181825
(3S,4S)-1-[2-(1-aminocyclobutyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085644
5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one
CID 82011405
5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one
CID 82689210
(3S,4S)-1-[3-(2,2-difluoroethoxy)propanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085463
5-amino-4-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]pentan-1-one
CID 82011875

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-methylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-amino-4-methylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid (CID 82688261) is 1-(5-amino-4-methylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-amino-4-methylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-amino-4-methylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid is CC(CN)CCC(=O)N1CC(C)C(C(=O)O)C1.
What is the InChIKey of 1-(5-amino-4-methylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is YUADNEQGKRUQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(5-13)3-4-11(15)14-6-9(2)10(7-14)12(16)17/h8-10H,3-7,13H2,1-2H3,(H,16,17).
What are the key properties of 1-(5-amino-4-methylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(5-amino-4-methylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.54, 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)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82688261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).