1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid

C7H12N2O3 — CID 71757801

IUPAC1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESNCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C7H12N2O3/c8-1-2-9-4-5(7(11)12)3-6(9)10/h5H,1-4,8H2,(H,11,12)
InChIKeyDSIPVHWYFBXSRV-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.12
Rot. Bonds3

About 1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid

1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 71757801) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID71757801
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESNCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C7H12N2O3/c8-1-2-9-4-5(7(11)12)3-6(9)10/h5H,1-4,8H2,(H,11,12)
InChIKeyDSIPVHWYFBXSRV-UHFFFAOYSA-N
XLogP-1.12
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 92755218
1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83193064
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
(3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid
CID 29136485
5-oxo-1-(2-sulfoethyl)pyrrolidine-3-carboxylic acid
CID 83295024
1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 63983679
1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82512183
1-(4-amino-3-methyl-4-oxobutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 70114955
1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83192927
5-oxo-1-(3-sulfopropyl)pyrrolidine-3-carboxylic acid
CID 168691341

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid (CID 71757801) is 1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid is NCCN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is DSIPVHWYFBXSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c8-1-2-9-4-5(7(11)12)3-6(9)10/h5H,1-4,8H2,(H,11,12).
What are the key properties of 1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 172.18 g/mol, XLogP of -1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 71757801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).