1-(2-aminoethyl)pyrrolidine-2-carboxylic acid

C7H14N2O2 — CID 63653380

IUPAC1-(2-aminoethyl)pyrrolidine-2-carboxylic acid
SMILESNCCN1CCCC1C(=O)O
InChIInChI=1S/C7H14N2O2/c8-3-5-9-4-1-2-6(9)7(10)11/h6H,1-5,8H2,(H,10,11)
InChIKeyREZDEQCNPGDPQQ-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.51
Rot. Bonds3

About 1-(2-aminoethyl)pyrrolidine-2-carboxylic acid

1-(2-aminoethyl)pyrrolidine-2-carboxylic acid (PubChem CID 63653380) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(2-aminoethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminoethyl)pyrrolidine-2-carboxylic acid
PubChem CID63653380
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-(2-aminoethyl)pyrrolidine-2-carboxylic acid
SMILESNCCN1CCCC1C(=O)O
InChIInChI=1S/C7H14N2O2/c8-3-5-9-4-1-2-6(9)7(10)11/h6H,1-5,8H2,(H,10,11)
InChIKeyREZDEQCNPGDPQQ-UHFFFAOYSA-N
XLogP-0.51
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-aminoethyl)pyrrolidine-2-carboxamide
CID 28822969
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
(2S)-1-(2-sulfanylethyl)pyrrolidine-2-carboxylic acid
CID 45116092
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
(2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid
CID 57122490
(2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid
CID 28819351
1-nonylpyrrolidine-2-carboxylic acid
CID 43441741
1-pentylpyrrolidine-2-carboxylic acid;sulfane
CID 174808239
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid
CID 118561854
1-(3-hydroxy-3-methylbutyl)pyrrolidine-2-carboxylic acid
CID 79355389
CID 172742310
CID 172742310

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-aminoethyl)pyrrolidine-2-carboxylic acid (CID 63653380) is 1-(2-aminoethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-aminoethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-aminoethyl)pyrrolidine-2-carboxylic acid is NCCN1CCCC1C(=O)O.
What is the InChIKey of 1-(2-aminoethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is REZDEQCNPGDPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-3-5-9-4-1-2-6(9)7(10)11/h6H,1-5,8H2,(H,10,11).
What are the key properties of 1-(2-aminoethyl)pyrrolidine-2-carboxylic acid?
1-(2-aminoethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63653380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).