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

C11H20N2O3 — CID 39247341

IUPAC(3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid
SMILESCC(C)NC(=O)CN1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-8(2)12-10(14)7-13-5-3-4-9(6-13)11(15)16/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)/t9-/m0/s1
InChIKeyYZINIYUGBCMGPP-VIFPVBQESA-N
MW228.29 g/mol
LogP0.31
Rot. Bonds4

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

(3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid (PubChem CID 39247341) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid
PubChem CID39247341
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid
SMILESCC(C)NC(=O)CN1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-8(2)12-10(14)7-13-5-3-4-9(6-13)11(15)16/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)/t9-/m0/s1
InChIKeyYZINIYUGBCMGPP-VIFPVBQESA-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-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 43385895
(3S)-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 125147582
(3R)-1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 124693934
2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 95301456
2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 95354060
1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385852
1-[(3-methylbutanoylamino)methyl]piperidine-3-carboxylic acid
CID 82163406
(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 81120213
N-[(2R)-1-hydroxypropan-2-yl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 170258612
ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate
CID 81338447
1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385879
1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid
CID 104835427

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid (CID 39247341) is (3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid is CC(C)NC(=O)CN1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid?
The InChIKey is YZINIYUGBCMGPP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)12-10(14)7-13-5-3-4-9(6-13)11(15)16/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)/t9-/m0/s1.
What are the key properties of (3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid?
(3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-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 (3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 39247341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).