(2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid

C13H22N2O5 — CID 107567387

IUPAC(2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N1CCCC(C(=O)OC)C1)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-3-5-10(11(16)17)14-13(19)15-7-4-6-9(8-15)12(18)20-2/h9-10H,3-8H2,1-2H3,(H,14,19)(H,16,17)/t9?,10-/m0/s1
InChIKeyWQTKOCRDXIXWRM-AXDSSHIGSA-N
MW286.33 g/mol
LogP0.83
Rot. Bonds5

About (2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid

(2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid (PubChem CID 107567387) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid
PubChem CID107567387
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name(2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N1CCCC(C(=O)OC)C1)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-3-5-10(11(16)17)14-13(19)15-7-4-6-9(8-15)12(18)20-2/h9-10H,3-8H2,1-2H3,(H,14,19)(H,16,17)/t9?,10-/m0/s1
InChIKeyWQTKOCRDXIXWRM-AXDSSHIGSA-N
XLogP0.83
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566036
2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid
CID 61193645
(2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid
CID 107145229
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 107146678
(2S)-2-[(4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107566997
(2R)-2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566950
3-hydroxy-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]butanoic acid
CID 115535272
methyl (3S)-1-(2-propylpentanoyl)piperidine-3-carboxylate
CID 113329988
(2R)-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566360
2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 106587981
(2S)-2-hydroxy-3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 107840674
2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 115535241

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid (CID 107567387) is (2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid is CCC[C@H](NC(=O)N1CCCC(C(=O)OC)C1)C(=O)O.
What is the InChIKey of (2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid?
The InChIKey is WQTKOCRDXIXWRM-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-3-5-10(11(16)17)14-13(19)15-7-4-6-9(8-15)12(18)20-2/h9-10H,3-8H2,1-2H3,(H,14,19)(H,16,17)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid?
(2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid has a molecular weight of 286.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107567387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).