3-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]propanoic acid

C13H24N2O3 — CID 62331863

IUPAC3-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N1CCC(C)CC1C
InChIInChI=1S/C13H24N2O3/c1-4-14(7-6-12(16)17)13(18)15-8-5-10(2)9-11(15)3/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyNYJPVIOTWVPYGX-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.02
Rot. Bonds4

About 3-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]propanoic acid

3-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]propanoic acid (PubChem CID 62331863) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]propanoic acid
PubChem CID62331863
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N1CCC(C)CC1C
InChIInChI=1S/C13H24N2O3/c1-4-14(7-6-12(16)17)13(18)15-8-5-10(2)9-11(15)3/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyNYJPVIOTWVPYGX-UHFFFAOYSA-N
XLogP2.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2,4-dimethylpiperidine-1-carboxamide
CID 115644391
2-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]acetic acid
CID 62331670
2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 79272643
1-[ethyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744036
4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 62331638
3-[ethyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83056051
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-ethylamino]propanoic acid
CID 79181066
3-[ethyl-(3-methylcyclobutanecarbonyl)amino]propanoic acid
CID 115909737
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
1-(dibutylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106743882

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]propanoic acid?
The IUPAC name of 3-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]propanoic acid (CID 62331863) is 3-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]propanoic acid.
What is the SMILES notation for 3-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]propanoic acid?
The canonical SMILES for 3-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]propanoic acid is CCN(CCC(=O)O)C(=O)N1CCC(C)CC1C.
What is the InChIKey of 3-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]propanoic acid?
The InChIKey is NYJPVIOTWVPYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-14(7-6-12(16)17)13(18)15-8-5-10(2)9-11(15)3/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 3-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]propanoic acid?
3-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]propanoic acid is sourced from PubChem (CID 62331863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).