(2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid

C13H24N2O3 — CID 124834654

IUPAC(2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
SMILESCC[C@H]1CCCCN1C(=O)CN(C)[C@H](C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-11-7-5-6-8-15(11)12(16)9-14(3)10(2)13(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)/t10-,11+/m1/s1
InChIKeyHGCDNPMULLMWGT-MNOVXSKESA-N
MW256.35 g/mol
LogP1.18
Rot. Bonds5

About (2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid

(2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid (PubChem CID 124834654) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
PubChem CID124834654
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
SMILESCC[C@H]1CCCCN1C(=O)CN(C)[C@H](C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-11-7-5-6-8-15(11)12(16)9-14(3)10(2)13(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)/t10-,11+/m1/s1
InChIKeyHGCDNPMULLMWGT-MNOVXSKESA-N
XLogP1.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-ethylpiperidine-1-carbonyl)-methylamino]propanoic acid
CID 62637552
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
2-[butan-2-yl-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 60834213
2-(dipropylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 86910548
1-(2-ethylpiperidin-1-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone
CID 112815163
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
CID 119928683
4-[1-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide
CID 55412916
1-(2-ethylpiperidin-1-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62021216
2-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-methylamino]propanoic acid
CID 119913781
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 78767110
1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one
CID 150449781
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid?
The IUPAC name of (2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid (CID 124834654) is (2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid is CC[C@H]1CCCCN1C(=O)CN(C)[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid?
The InChIKey is HGCDNPMULLMWGT-MNOVXSKESA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-11-7-5-6-8-15(11)12(16)9-14(3)10(2)13(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)/t10-,11+/m1/s1.
What are the key properties of (2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid?
(2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid is sourced from PubChem (CID 124834654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).