3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid

C13H22N2O4 — CID 62942046

IUPAC3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCC1CCN(C(=O)NC(=O)CC(C)CC(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-9-3-5-15(6-4-9)13(19)14-11(16)7-10(2)8-12(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)(H,14,16,19)
InChIKeyRIISMAZZXHHPAT-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.46
Rot. Bonds4

About 3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid

3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 62942046) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
PubChem CID62942046
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCC1CCN(C(=O)NC(=O)CC(C)CC(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-9-3-5-15(6-4-9)13(19)14-11(16)7-10(2)8-12(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)(H,14,16,19)
InChIKeyRIISMAZZXHHPAT-UHFFFAOYSA-N
XLogP1.46
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid
CID 62964310
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid
CID 63978057
5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid
CID 63536519
3-methyl-4-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 81069003
3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid
CID 62965956
N-(2-chloroacetyl)-4-methylazepane-1-carboxamide
CID 63625647
5-[(2-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965510
(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 942904
N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 79159288
5-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 114504596
2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 62697752
N-[(2R)-1-aminopropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 96683106

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of 3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid (CID 62942046) is 3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid is CC1CCN(C(=O)NC(=O)CC(C)CC(=O)O)CC1.
What is the InChIKey of 3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is RIISMAZZXHHPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9-3-5-15(6-4-9)13(19)14-11(16)7-10(2)8-12(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)(H,14,16,19).
What are the key properties of 3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 270.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 62942046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).