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

C14H26N2O3 — CID 114430684

IUPAC4-ethyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidine-2-carboxylic acid
SMILESCCC1CCN(C(C)C(=O)NC(C)C)C(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-5-11-6-7-16(12(8-11)14(18)19)10(4)13(17)15-9(2)3/h9-12H,5-8H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyLNKMLXZLAXBGSI-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.47
Rot. Bonds5

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

4-ethyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidine-2-carboxylic acid (PubChem CID 114430684) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-ethyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidine-2-carboxylic acid
PubChem CID114430684
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-ethyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidine-2-carboxylic acid
SMILESCCC1CCN(C(C)C(=O)NC(C)C)C(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-5-11-6-7-16(12(8-11)14(18)19)10(4)13(17)15-9(2)3/h9-12H,5-8H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyLNKMLXZLAXBGSI-UHFFFAOYSA-N
XLogP1.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-2-carboxylic acid
CID 114431702
4-ethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-2-carboxylic acid
CID 114431840
4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid
CID 114430884
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
CID 43440972
4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 114430208
4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid
CID 114430632
1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 106346727
1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid
CID 114431174
1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430556
4-ethyl-1-(4-methylsulfinylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 114430547
4-ethyl-1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidine-2-carboxylic acid
CID 114430104
4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiomorpholine-3-carboxylic acid
CID 82906329

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidine-2-carboxylic acid (CID 114430684) is 4-ethyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidine-2-carboxylic acid is CCC1CCN(C(C)C(=O)NC(C)C)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidine-2-carboxylic acid?
The InChIKey is LNKMLXZLAXBGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-11-6-7-16(12(8-11)14(18)19)10(4)13(17)15-9(2)3/h9-12H,5-8H2,1-4H3,(H,15,17)(H,18,19).
What are the key properties of 4-ethyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidine-2-carboxylic acid?
4-ethyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidine-2-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114430684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).