4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid

C14H26N2O3 — CID 114430884

IUPAC4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(CCC(=O)NC(C)C)C(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-11-5-7-16(12(9-11)14(18)19)8-6-13(17)15-10(2)3/h10-12H,4-9H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyCEOFDDVABXUUPF-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.48
Rot. Bonds6

About 4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid

4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid (PubChem CID 114430884) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid
PubChem CID114430884
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(CCC(=O)NC(C)C)C(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-11-5-7-16(12(9-11)14(18)19)8-6-13(17)15-10(2)3/h10-12H,4-9H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyCEOFDDVABXUUPF-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid
CID 114430632
4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid
CID 114431447
4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 114430208
1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431248
4-ethyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidine-2-carboxylic acid
CID 114430684
1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid
CID 114431174
3-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]pyrrolidine-2-carboxylic acid
CID 102784810
1-[2-(cyclopentylamino)-2-oxoethyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431254
4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid
CID 114431008
4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid
CID 114431232
4-ethyl-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-2-carboxylic acid
CID 114430814
4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid
CID 107007902

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid (CID 114430884) is 4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid is CCC1CCN(CCC(=O)NC(C)C)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid?
The InChIKey is CEOFDDVABXUUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-11-5-7-16(12(9-11)14(18)19)8-6-13(17)15-10(2)3/h10-12H,4-9H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid?
4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114430884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).