5-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-4-methylpentanoic acid

C15H29N3O3 — CID 82014093

IUPAC5-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-4-methylpentanoic acid
SMILESCCN1CCC(CNC(=O)NCC(C)CCC(=O)O)CC1
InChIInChI=1S/C15H29N3O3/c1-3-18-8-6-13(7-9-18)11-17-15(21)16-10-12(2)4-5-14(19)20/h12-13H,3-11H2,1-2H3,(H,19,20)(H2,16,17,21)
InChIKeyPQZRYCROJSJRGE-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.52
Rot. Bonds8

About 5-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-4-methylpentanoic acid

5-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-4-methylpentanoic acid (PubChem CID 82014093) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 5-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-4-methylpentanoic acid
PubChem CID82014093
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name5-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-4-methylpentanoic acid
SMILESCCN1CCC(CNC(=O)NCC(C)CCC(=O)O)CC1
InChIInChI=1S/C15H29N3O3/c1-3-18-8-6-13(7-9-18)11-17-15(21)16-10-12(2)4-5-14(19)20/h12-13H,3-11H2,1-2H3,(H,19,20)(H2,16,17,21)
InChIKeyPQZRYCROJSJRGE-UHFFFAOYSA-N
XLogP1.52
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 66165512
4-methyl-5-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 107297551
4-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pentanoic acid
CID 106021011
2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]pentanedioic acid
CID 61205665
4-methyl-5-[(1-methylpiperidin-2-yl)methylcarbamoylamino]pentanoic acid
CID 82014411
3-methyl-4-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid
CID 81070073
3-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428663
4-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-methylbutanamide
CID 80543737
5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62964488
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
5-[(1-ethylpyrrolidin-3-yl)methylamino]-3-methyl-5-oxopentanoic acid
CID 62965394
1-(4-hydroxy-2-methylpentyl)-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 111454527

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 5-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-4-methylpentanoic acid (CID 82014093) is 5-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-4-methylpentanoic acid is CCN1CCC(CNC(=O)NCC(C)CCC(=O)O)CC1.
What is the InChIKey of 5-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-4-methylpentanoic acid?
The InChIKey is PQZRYCROJSJRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-3-18-8-6-13(7-9-18)11-17-15(21)16-10-12(2)4-5-14(19)20/h12-13H,3-11H2,1-2H3,(H,19,20)(H2,16,17,21).
What are the key properties of 5-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-4-methylpentanoic acid?
5-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-4-methylpentanoic acid has a molecular weight of 299.42 g/mol, XLogP of 1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 82014093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).