1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid

C10H20N2O2 — CID 83080806

IUPAC1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1CCCN
InChIInChI=1S/C10H20N2O2/c1-2-10(9(13)14)5-3-7-12(10)8-4-6-11/h2-8,11H2,1H3,(H,13,14)
InChIKeyPBKAYUNAUZLMOE-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.66
Rot. Bonds5

About 1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid

1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 83080806) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID83080806
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1CCCN
InChIInChI=1S/C10H20N2O2/c1-2-10(9(13)14)5-3-7-12(10)8-4-6-11/h2-8,11H2,1H3,(H,13,14)
InChIKeyPBKAYUNAUZLMOE-UHFFFAOYSA-N
XLogP0.66
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070850
2-ethyl-1-octylpyrrolidine-2-carboxylic acid
CID 83079650
1-decyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83080199
2-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-2-carboxylic acid
CID 83079929
2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid
CID 83070929
2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid
CID 83070563
2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080889
2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid
CID 83080106
1-(3-aminopropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83071327
1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070500
1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83071100
(2R)-1-butyl-2-(2,3-dihydroxypropyl)pyrrolidine-2-carboxylic acid
CID 163255464

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid (CID 83080806) is 1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1CCCN.
What is the InChIKey of 1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is PBKAYUNAUZLMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-10(9(13)14)5-3-7-12(10)8-4-6-11/h2-8,11H2,1H3,(H,13,14).
What are the key properties of 1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid?
1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83080806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).