(3S)-3-(ethylamino)-4-oxo-4-piperidin-1-ylbutanoic acid

C11H20N2O3 — CID 165174485

IUPAC(3S)-3-(ethylamino)-4-oxo-4-piperidin-1-ylbutanoic acid
SMILESCCN[C@@H](CC(=O)O)C(=O)N1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-2-12-9(8-10(14)15)11(16)13-6-4-3-5-7-13/h9,12H,2-8H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyKNLRVBOYPGKKSV-VIFPVBQESA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds5

About (3S)-3-(ethylamino)-4-oxo-4-piperidin-1-ylbutanoic acid

(3S)-3-(ethylamino)-4-oxo-4-piperidin-1-ylbutanoic acid (PubChem CID 165174485) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (3S)-3-(ethylamino)-4-oxo-4-piperidin-1-ylbutanoic acid.

Molecular Properties

Compound Name(3S)-3-(ethylamino)-4-oxo-4-piperidin-1-ylbutanoic acid
PubChem CID165174485
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(3S)-3-(ethylamino)-4-oxo-4-piperidin-1-ylbutanoic acid
SMILESCCN[C@@H](CC(=O)O)C(=O)N1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-2-12-9(8-10(14)15)11(16)13-6-4-3-5-7-13/h9,12H,2-8H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyKNLRVBOYPGKKSV-VIFPVBQESA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
1-(azocan-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62852509
2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43389372
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide
CID 43402044
2-amino-N-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)acetamide
CID 143447843
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
2-ethyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]butanamide
CID 95747727
(3S)-4-oxo-3-(phenylmethoxycarbonylamino)-4-piperidin-1-ylbutanoic acid
CID 70003305
1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
CID 113233582
4-methyl-2-(methylamino)-1-piperidin-1-ylpentan-1-one
CID 110838084
2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43083625
2-(ethylamino)-1-piperidin-1-ylpentan-3-one
CID 71154517

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(ethylamino)-4-oxo-4-piperidin-1-ylbutanoic acid?
The IUPAC name of (3S)-3-(ethylamino)-4-oxo-4-piperidin-1-ylbutanoic acid (CID 165174485) is (3S)-3-(ethylamino)-4-oxo-4-piperidin-1-ylbutanoic acid.
What is the SMILES notation for (3S)-3-(ethylamino)-4-oxo-4-piperidin-1-ylbutanoic acid?
The canonical SMILES for (3S)-3-(ethylamino)-4-oxo-4-piperidin-1-ylbutanoic acid is CCN[C@@H](CC(=O)O)C(=O)N1CCCCC1.
What is the InChIKey of (3S)-3-(ethylamino)-4-oxo-4-piperidin-1-ylbutanoic acid?
The InChIKey is KNLRVBOYPGKKSV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-12-9(8-10(14)15)11(16)13-6-4-3-5-7-13/h9,12H,2-8H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (3S)-3-(ethylamino)-4-oxo-4-piperidin-1-ylbutanoic acid?
(3S)-3-(ethylamino)-4-oxo-4-piperidin-1-ylbutanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(ethylamino)-4-oxo-4-piperidin-1-ylbutanoic acid is sourced from PubChem (CID 165174485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).