2-[[(4-methoxycarbonylpiperidine-1-carbonyl)amino]methyl]butanoic acid

C13H22N2O5 — CID 65217912

IUPAC2-[[(4-methoxycarbonylpiperidine-1-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)N1CCC(C(=O)OC)CC1)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-3-9(11(16)17)8-14-13(19)15-6-4-10(5-7-15)12(18)20-2/h9-10H,3-8H2,1-2H3,(H,14,19)(H,16,17)
InChIKeyPSMRCBWWNUILPL-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.69
Rot. Bonds5

About 2-[[(4-methoxycarbonylpiperidine-1-carbonyl)amino]methyl]butanoic acid

2-[[(4-methoxycarbonylpiperidine-1-carbonyl)amino]methyl]butanoic acid (PubChem CID 65217912) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[[(4-methoxycarbonylpiperidine-1-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(4-methoxycarbonylpiperidine-1-carbonyl)amino]methyl]butanoic acid
PubChem CID65217912
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[[(4-methoxycarbonylpiperidine-1-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)N1CCC(C(=O)OC)CC1)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-3-9(11(16)17)8-14-13(19)15-6-4-10(5-7-15)12(18)20-2/h9-10H,3-8H2,1-2H3,(H,14,19)(H,16,17)
InChIKeyPSMRCBWWNUILPL-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 66167975
2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid
CID 65226508
2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid
CID 61193645
2-[[(4-cyclopentylpiperazine-1-carbonyl)amino]methyl]butanoic acid
CID 65221564
2-[[(4-tert-butylazepane-1-carbonyl)amino]methyl]butanoic acid
CID 65226928
2-[[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid
CID 65218752
4-[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 81071213
(2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid
CID 107145229
3-methoxy-4-[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 103159678
2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65221277
2-[(azepane-1-carbonylamino)methyl]pentanoic acid
CID 65217882
2-[[(2,6-dimethylthiomorpholine-4-carbonyl)amino]methyl]butanoic acid
CID 65226631

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methoxycarbonylpiperidine-1-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(4-methoxycarbonylpiperidine-1-carbonyl)amino]methyl]butanoic acid (CID 65217912) is 2-[[(4-methoxycarbonylpiperidine-1-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(4-methoxycarbonylpiperidine-1-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(4-methoxycarbonylpiperidine-1-carbonyl)amino]methyl]butanoic acid is CCC(CNC(=O)N1CCC(C(=O)OC)CC1)C(=O)O.
What is the InChIKey of 2-[[(4-methoxycarbonylpiperidine-1-carbonyl)amino]methyl]butanoic acid?
The InChIKey is PSMRCBWWNUILPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-3-9(11(16)17)8-14-13(19)15-6-4-10(5-7-15)12(18)20-2/h9-10H,3-8H2,1-2H3,(H,14,19)(H,16,17).
What are the key properties of 2-[[(4-methoxycarbonylpiperidine-1-carbonyl)amino]methyl]butanoic acid?
2-[[(4-methoxycarbonylpiperidine-1-carbonyl)amino]methyl]butanoic acid has a molecular weight of 286.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methoxycarbonylpiperidine-1-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 65217912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).