4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid

C12H20N2O4 — CID 62331638

IUPAC4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
SMILESCC1CCN(C(=O)NC(=O)CCC(=O)O)C(C)C1
InChIInChI=1S/C12H20N2O4/c1-8-5-6-14(9(2)7-8)12(18)13-10(15)3-4-11(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)(H,13,15,18)
InChIKeyHTFLYZGRQMSBHU-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.21
Rot. Bonds3

About 4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid

4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 62331638) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
PubChem CID62331638
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
SMILESCC1CCN(C(=O)NC(=O)CCC(=O)O)C(C)C1
InChIInChI=1S/C12H20N2O4/c1-8-5-6-14(9(2)7-8)12(18)13-10(15)3-4-11(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)(H,13,15,18)
InChIKeyHTFLYZGRQMSBHU-UHFFFAOYSA-N
XLogP1.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 62331104
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 62329876
4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 62332382
6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid
CID 43447279
5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 43117881
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-oxobutanoic acid
CID 28746570
3-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]propanoic acid
CID 62331863
2,4-dimethyl-N-propylpiperidine-1-carboxamide
CID 115644943
methyl 2,4-dimethylpiperidine-1-carboxylate
CID 115643665
methyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate
CID 145048176
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 54885988
2-cyclopropyl-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 55107825

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid (CID 62331638) is 4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid is CC1CCN(C(=O)NC(=O)CCC(=O)O)C(C)C1.
What is the InChIKey of 4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is HTFLYZGRQMSBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8-5-6-14(9(2)7-8)12(18)13-10(15)3-4-11(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)(H,13,15,18).
What are the key properties of 4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid?
4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 256.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 62331638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).