4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid

C15H28N2O4 — CID 82014865

IUPAC4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid
SMILESCCCOC1CCCN(C(=O)NCC(C)CCC(=O)O)C1
InChIInChI=1S/C15H28N2O4/c1-3-9-21-13-5-4-8-17(11-13)15(20)16-10-12(2)6-7-14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyGWUJEJPCJOZRIR-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.09
Rot. Bonds8

About 4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid

4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid (PubChem CID 82014865) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid
PubChem CID82014865
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid
SMILESCCCOC1CCCN(C(=O)NCC(C)CCC(=O)O)C1
InChIInChI=1S/C15H28N2O4/c1-3-9-21-13-5-4-8-17(11-13)15(20)16-10-12(2)6-7-14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyGWUJEJPCJOZRIR-UHFFFAOYSA-N
XLogP2.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 107839175
4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 82682847
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 82013959
4-methyl-5-[(4-propan-2-ylazepane-1-carbonyl)amino]pentanoic acid
CID 82014265
4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid
CID 82682716
4-methyl-5-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 113418247
1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451446
5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 106670569
3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 54989771
2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65221372
2-methoxy-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 112687423

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid (CID 82014865) is 4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid is CCCOC1CCCN(C(=O)NCC(C)CCC(=O)O)C1.
What is the InChIKey of 4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid?
The InChIKey is GWUJEJPCJOZRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-3-9-21-13-5-4-8-17(11-13)15(20)16-10-12(2)6-7-14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid?
4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid has a molecular weight of 300.40 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 82014865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).