1-[2-[3-aminopropyl(butyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

C14H27N3O3 — CID 23103419

IUPAC1-[2-[3-aminopropyl(butyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCCCCN(CCCN)C(=O)CN1CCC(C(=O)O)C1
InChIInChI=1S/C14H27N3O3/c1-2-3-7-17(8-4-6-15)13(18)11-16-9-5-12(10-16)14(19)20/h12H,2-11,15H2,1H3,(H,19,20)
InChIKeyFPGGGNVYRQZGKO-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.37
Rot. Bonds9

About 1-[2-[3-aminopropyl(butyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

1-[2-[3-aminopropyl(butyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 23103419) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[2-[3-aminopropyl(butyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[3-aminopropyl(butyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID23103419
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name1-[2-[3-aminopropyl(butyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCCCCN(CCCN)C(=O)CN1CCC(C(=O)O)C1
InChIInChI=1S/C14H27N3O3/c1-2-3-7-17(8-4-6-15)13(18)11-16-9-5-12(10-16)14(19)20/h12H,2-11,15H2,1H3,(H,19,20)
InChIKeyFPGGGNVYRQZGKO-UHFFFAOYSA-N
XLogP0.37
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-(Dimethylamino)ethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 654521
rac-(3R,4R)-4-amino-1-((tert-butoxy)carbonyl)pyrrolidine-3-carboxylic acid
CID 44272289
(3S,4S)-4-amino-1-[ethyl(isopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 503253
4-Amino-1-(ethyl-isopropyl-carbamoyl)-pyrrolidine-3-carboxylic acid
CID 505893
(3S,4S)-4-amino-1-(diisopropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 5278232
4-Amino-1-diisopropylcarbamoyl-pyrrolidine-3-carboxylic acid
CID 44272318
(3R,4R)-4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 492445
4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 503252
1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 44367692
(3S,4R)-4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 40461050
(3S,4S)-4-amino-1-(2-ethylbutanoyl)pyrrolidine-3-carboxylic acid
CID 5278228
(3S,4S)-4-amino-1-(diethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 5278229

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-aminopropyl(butyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[3-aminopropyl(butyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 23103419) is 1-[2-[3-aminopropyl(butyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[3-aminopropyl(butyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[3-aminopropyl(butyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is CCCCN(CCCN)C(=O)CN1CCC(C(=O)O)C1.
What is the InChIKey of 1-[2-[3-aminopropyl(butyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is FPGGGNVYRQZGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-2-3-7-17(8-4-6-15)13(18)11-16-9-5-12(10-16)14(19)20/h12H,2-11,15H2,1H3,(H,19,20).
What are the key properties of 1-[2-[3-aminopropyl(butyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
1-[2-[3-aminopropyl(butyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 285.39 g/mol, XLogP of 0.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-aminopropyl(butyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 23103419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).