1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid

C11H20N2O3 — CID 43385831

IUPAC1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
SMILESCCNC(=O)C(C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-3-12-10(14)8(2)13-6-4-9(5-7-13)11(15)16/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyHEQFZWDQVGTHJV-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.31
Rot. Bonds4

About 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid

1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid (PubChem CID 43385831) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
PubChem CID43385831
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
SMILESCCNC(=O)C(C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-3-12-10(14)8(2)13-6-4-9(5-7-13)11(15)16/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyHEQFZWDQVGTHJV-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid
CID 43385844
1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134673
N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63249433
1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906793
N-ethyl-2-(3-methylpyrrolidin-1-yl)propanamide
CID 130606422
1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63032736
1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 61478723
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-ethylpropanamide
CID 81493124
N-ethyl-2-[4-[1-(propylamino)ethyl]piperidin-1-yl]propanamide
CID 63854665
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
1-[1-[(2-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907889
1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908292

Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid (CID 43385831) is 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid is CCNC(=O)C(C)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The InChIKey is HEQFZWDQVGTHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-12-10(14)8(2)13-6-4-9(5-7-13)11(15)16/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43385831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).