(3R,4S)-3-amino-4-butyl-1-(cyclopentanecarbonyl)pyrrolidine-3-carboxylic acid

C15H26N2O3 — CID 158674652

IUPAC(3R,4S)-3-amino-4-butyl-1-(cyclopentanecarbonyl)pyrrolidine-3-carboxylic acid
SMILESCCCC[C@H]1CN(C(=O)C2CCCC2)C[C@@]1(N)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-2-3-8-12-9-17(10-15(12,16)14(19)20)13(18)11-6-4-5-7-11/h11-12H,2-10,16H2,1H3,(H,19,20)/t12-,15-/m0/s1
InChIKeyQIUBKODCAZNTKT-WFASDCNBSA-N
MW282.38 g/mol
LogP1.61
Rot. Bonds5

About (3R,4S)-3-amino-4-butyl-1-(cyclopentanecarbonyl)pyrrolidine-3-carboxylic acid

(3R,4S)-3-amino-4-butyl-1-(cyclopentanecarbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 158674652) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (3R,4S)-3-amino-4-butyl-1-(cyclopentanecarbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-3-amino-4-butyl-1-(cyclopentanecarbonyl)pyrrolidine-3-carboxylic acid
PubChem CID158674652
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(3R,4S)-3-amino-4-butyl-1-(cyclopentanecarbonyl)pyrrolidine-3-carboxylic acid
SMILESCCCC[C@H]1CN(C(=O)C2CCCC2)C[C@@]1(N)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-2-3-8-12-9-17(10-15(12,16)14(19)20)13(18)11-6-4-5-7-11/h11-12H,2-10,16H2,1H3,(H,19,20)/t12-,15-/m0/s1
InChIKeyQIUBKODCAZNTKT-WFASDCNBSA-N
XLogP1.61
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-4-butyl-1-(cyclopentanecarbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-3-amino-4-butyl-1-(cyclopentanecarbonyl)pyrrolidine-3-carboxylic acid (CID 158674652) is (3R,4S)-3-amino-4-butyl-1-(cyclopentanecarbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-3-amino-4-butyl-1-(cyclopentanecarbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-3-amino-4-butyl-1-(cyclopentanecarbonyl)pyrrolidine-3-carboxylic acid is CCCC[C@H]1CN(C(=O)C2CCCC2)C[C@@]1(N)C(=O)O.
What is the InChIKey of (3R,4S)-3-amino-4-butyl-1-(cyclopentanecarbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is QIUBKODCAZNTKT-WFASDCNBSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-3-8-12-9-17(10-15(12,16)14(19)20)13(18)11-6-4-5-7-11/h11-12H,2-10,16H2,1H3,(H,19,20)/t12-,15-/m0/s1.
What are the key properties of (3R,4S)-3-amino-4-butyl-1-(cyclopentanecarbonyl)pyrrolidine-3-carboxylic acid?
(3R,4S)-3-amino-4-butyl-1-(cyclopentanecarbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-4-butyl-1-(cyclopentanecarbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 158674652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).