5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid

C12H20N2O4 — CID 43117881

IUPAC5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCC1CCCCN1C(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C12H20N2O4/c1-9-5-2-3-8-14(9)12(18)13-10(15)6-4-7-11(16)17/h9H,2-8H2,1H3,(H,16,17)(H,13,15,18)
InChIKeyMCGIRDQELLUKLF-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.35
Rot. Bonds4

About 5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid

5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 43117881) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
PubChem CID43117881
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCC1CCCCN1C(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C12H20N2O4/c1-9-5-2-3-8-14(9)12(18)13-10(15)6-4-7-11(16)17/h9H,2-8H2,1H3,(H,16,17)(H,13,15,18)
InChIKeyMCGIRDQELLUKLF-UHFFFAOYSA-N
XLogP1.35
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid
CID 43447279
6-[(2-ethylazepane-1-carbonyl)amino]-6-oxohexanoic acid
CID 104690464
4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 115534953
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-oxobutanoic acid
CID 28746570
4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 62331638
(2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 61187712
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 54885988
2-methyl-N-prop-1-en-2-ylpiperidine-1-carboxamide
CID 108910296
6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid
CID 43447360
3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61188251
4-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-4-oxobutanoic acid
CID 62889344

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid (CID 43117881) is 5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid is CC1CCCCN1C(=O)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is MCGIRDQELLUKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-9-5-2-3-8-14(9)12(18)13-10(15)6-4-7-11(16)17/h9H,2-8H2,1H3,(H,16,17)(H,13,15,18).
What are the key properties of 5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 256.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 43117881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).