1-[2-(aminomethyl)-3-methylbutanoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

C14H26N2O3 — CID 106981552

IUPAC1-[2-(aminomethyl)-3-methylbutanoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C(CN)C(=O)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-9(2)11(7-15)12(17)16-6-5-14(8-16,10(3)4)13(18)19/h9-11H,5-8,15H2,1-4H3,(H,18,19)
InChIKeyPTHRISDMUOPQHJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.18
Rot. Bonds5

About 1-[2-(aminomethyl)-3-methylbutanoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-[2-(aminomethyl)-3-methylbutanoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106981552) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3-methylbutanoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3-methylbutanoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106981552
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[2-(aminomethyl)-3-methylbutanoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C(CN)C(=O)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-9(2)11(7-15)12(17)16-6-5-14(8-16,10(3)4)13(18)19/h9-11H,5-8,15H2,1-4H3,(H,18,19)
InChIKeyPTHRISDMUOPQHJ-UHFFFAOYSA-N
XLogP1.18
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981591
1-(3-amino-2-methoxypropanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106114108
1-[2-(aminomethyl)-3-methylbutanoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 65228357
1-[2-(aminomethyl)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid
CID 65228007
1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981624
1-[2-(1-aminocyclohexyl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981575
1-[2-(aminomethyl)cyclohexanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981578
1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981561
1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983804
(3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 129465596
1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984242
(2R)-2-(aminomethyl)-1-[4-(2,2-dimethylpropanoyl)-1-thia-4,7-diazaspiro[4.4]nonan-7-yl]-3-methylbutan-1-one
CID 170385059

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3-methylbutanoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(aminomethyl)-3-methylbutanoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106981552) is 1-[2-(aminomethyl)-3-methylbutanoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(aminomethyl)-3-methylbutanoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(aminomethyl)-3-methylbutanoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)C(CN)C(=O)N1CCC(C(=O)O)(C(C)C)C1.
What is the InChIKey of 1-[2-(aminomethyl)-3-methylbutanoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is PTHRISDMUOPQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9(2)11(7-15)12(17)16-6-5-14(8-16,10(3)4)13(18)19/h9-11H,5-8,15H2,1-4H3,(H,18,19).
What are the key properties of 1-[2-(aminomethyl)-3-methylbutanoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-[2-(aminomethyl)-3-methylbutanoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3-methylbutanoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106981552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).