(3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid

C8H14N2O3 — CID 92755218

IUPAC(3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESNCCCN1C[C@H](C(=O)O)CC1=O
InChIInChI=1S/C8H14N2O3/c9-2-1-3-10-5-6(8(12)13)4-7(10)11/h6H,1-5,9H2,(H,12,13)/t6-/m1/s1
InChIKeyPGMWCYUUUCQPBZ-ZCFIWIBFSA-N
MW186.21 g/mol
LogP-0.73
Rot. Bonds4

About (3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid

(3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 92755218) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID92755218
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESNCCCN1C[C@H](C(=O)O)CC1=O
InChIInChI=1S/C8H14N2O3/c9-2-1-3-10-5-6(8(12)13)4-7(10)11/h6H,1-5,9H2,(H,12,13)/t6-/m1/s1
InChIKeyPGMWCYUUUCQPBZ-ZCFIWIBFSA-N
XLogP-0.73
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 71757801
1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83193064
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 735293
5-oxo-1-(3-sulfopropyl)pyrrolidine-3-carboxylic acid
CID 168691341
5-oxo-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid
CID 115515986
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
methyl 1-(6-aminohexyl)-5-oxopyrrolidine-3-carboxylate
CID 168694101
1-[3-(3-aminopropylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 168697217
1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid
CID 113463677
1-[3-(methanesulfonamido)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 106332650

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid (CID 92755218) is (3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid is NCCCN1C[C@H](C(=O)O)CC1=O.
What is the InChIKey of (3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is PGMWCYUUUCQPBZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14N2O3/c9-2-1-3-10-5-6(8(12)13)4-7(10)11/h6H,1-5,9H2,(H,12,13)/t6-/m1/s1.
What are the key properties of (3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid?
(3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 92755218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).