(2R)-2-(4-aminobutyl)-3-methylpyrrolidine-2-carboxylic acid

C10H20N2O2 — CID 54039462

IUPAC(2R)-2-(4-aminobutyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN[C@@]1(CCCCN)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-8-4-7-12-10(8,9(13)14)5-2-3-6-11/h8,12H,2-7,11H2,1H3,(H,13,14)/t8?,10-/m1/s1
InChIKeyLLHVGJUDVGEXHR-LHIURRSHSA-N
MW200.28 g/mol
LogP0.57
Rot. Bonds5

About (2R)-2-(4-aminobutyl)-3-methylpyrrolidine-2-carboxylic acid

(2R)-2-(4-aminobutyl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 54039462) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2R)-2-(4-aminobutyl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(4-aminobutyl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID54039462
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2R)-2-(4-aminobutyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN[C@@]1(CCCCN)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-8-4-7-12-10(8,9(13)14)5-2-3-6-11/h8,12H,2-7,11H2,1H3,(H,13,14)/t8?,10-/m1/s1
InChIKeyLLHVGJUDVGEXHR-LHIURRSHSA-N
XLogP0.57
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Streptokinase
CID 9815560
(4S)-4-cyclohexyl-L-proline
CID 9815559
trans-4-Cyclohexyl-L-proline monohydrochloride
CID 12805591
Trans-4-athyl-L-prolin
CID 54406408
3-Propylproline
CID 131514
2-(3,3-Dimethylbutyl)pyrrolidine-2-carboxylic acid hydrochloride
CID 145874790
(4R)-4-Propyl-L-proline
CID 14311266
4-Cyclohexyl-l-proline
CID 18664803
3-Propyl-L-proline
CID 21121446
3-Propan-2-yl-L-proline
CID 45082238
4-propyl-L-proline
CID 53773578
(2S,3R)-3-(3-methylbutyl)pyrrolidine-2-carboxylic acid
CID 67254509

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-aminobutyl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-(4-aminobutyl)-3-methylpyrrolidine-2-carboxylic acid (CID 54039462) is (2R)-2-(4-aminobutyl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-(4-aminobutyl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-(4-aminobutyl)-3-methylpyrrolidine-2-carboxylic acid is CC1CCN[C@@]1(CCCCN)C(=O)O.
What is the InChIKey of (2R)-2-(4-aminobutyl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is LLHVGJUDVGEXHR-LHIURRSHSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8-4-7-12-10(8,9(13)14)5-2-3-6-11/h8,12H,2-7,11H2,1H3,(H,13,14)/t8?,10-/m1/s1.
What are the key properties of (2R)-2-(4-aminobutyl)-3-methylpyrrolidine-2-carboxylic acid?
(2R)-2-(4-aminobutyl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-aminobutyl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54039462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).