3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid

C14H26N2O3 — CID 103870704

IUPAC3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid
SMILESCCC[C@H](N)C(=O)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-3-5-12(15)14(19)16-7-4-6-11(9-16)10(2)8-13(17)18/h10-12H,3-9,15H2,1-2H3,(H,17,18)/t10?,11?,12-/m0/s1
InChIKeyJPBYZRLOODPZHE-MCIGGMRASA-N
MW270.37 g/mol
LogP1.46
Rot. Bonds6

About 3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid

3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid (PubChem CID 103870704) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid
PubChem CID103870704
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid
SMILESCCC[C@H](N)C(=O)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-3-5-12(15)14(19)16-7-4-6-11(9-16)10(2)8-13(17)18/h10-12H,3-9,15H2,1-2H3,(H,17,18)/t10?,11?,12-/m0/s1
InChIKeyJPBYZRLOODPZHE-MCIGGMRASA-N
XLogP1.46
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R,5S)-3-amino-1-[(2S)-2-aminopropanoyl]-5-(2-boronoethyl)-2-methylpiperidine-3-carboxylic acid
CID 148484605
(2S,3R,5S)-3-amino-1-(2-aminoacetyl)-5-(2-boronoethyl)-2-methylpiperidine-3-carboxylic acid
CID 162656048
(2S,4R)-2-amino-4-(3-oxo-3-piperidin-1-ylpropyl)pentanedioic acid
CID 71574747
(3R,5S)-3-amino-1-[(2S)-2-amino-4-methylpentanoyl]-5-(2-boronoethyl)piperidine-3-carboxylic acid
CID 147256047
(3R,5S)-3-amino-1-[(2S)-2-aminopropanoyl]-5-(2-boronoethyl)piperidine-3-carboxylic acid
CID 148952665
(3R,5S)-3-amino-1-[(2S)-2-amino-3-methylbutanoyl]-5-(2-boronoethyl)piperidine-3-carboxylic acid
CID 149424236
(3R,5S)-3-amino-1-[(2S)-2-aminopentanoyl]-5-(2-boronoethyl)piperidine-3-carboxylic acid
CID 150590795
(3R,5S)-3-amino-1-[(2S,3S)-2-amino-3-methylpentanoyl]-5-(2-boronoethyl)piperidine-3-carboxylic acid
CID 151318691
(3S,5S)-3-amino-1-[(2S)-2-aminopropanoyl]-5-(2-boronoethyl)piperidine-3-carboxylic acid
CID 151500168
(3S,5R)-3-amino-1-[(2S)-2-aminopropanoyl]-5-(2-boronoethyl)piperidine-3-carboxylic acid
CID 151500169
(3R,5R)-3-amino-1-[(2S)-2-aminopropanoyl]-5-(2-boronoethyl)piperidine-3-carboxylic acid
CID 151500170
(3R,5S)-3-amino-1-[(2R)-2-aminopropanoyl]-5-(2-boronoethyl)piperidine-3-carboxylic acid
CID 151500171

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid (CID 103870704) is 3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid is CCC[C@H](N)C(=O)N1CCCC(C(C)CC(=O)O)C1.
What is the InChIKey of 3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid?
The InChIKey is JPBYZRLOODPZHE-MCIGGMRASA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-5-12(15)14(19)16-7-4-6-11(9-16)10(2)8-13(17)18/h10-12H,3-9,15H2,1-2H3,(H,17,18)/t10?,11?,12-/m0/s1.
What are the key properties of 3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid?
3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 103870704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).