3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid

C11H20N2O4 — CID 103262728

IUPAC3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
SMILESCOCC(NCC(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-17-8-9(11(15)16)12-7-10(14)13-5-3-2-4-6-13/h9,12H,2-8H2,1H3,(H,15,16)
InChIKeyFQXZGSZXFJTRBU-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.31
Rot. Bonds6

About 3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid

3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid (PubChem CID 103262728) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
PubChem CID103262728
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
SMILESCOCC(NCC(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-17-8-9(11(15)16)12-7-10(14)13-5-3-2-4-6-13/h9,12H,2-8H2,1H3,(H,15,16)
InChIKeyFQXZGSZXFJTRBU-UHFFFAOYSA-N
XLogP-0.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepane-1-carbonylamino)-3-methoxypropanoic acid
CID 81077084
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 106159700
(2S)-2-[[2-(azocan-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194502
3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 81086138
methyl (2R)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
CID 99715442
6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid
CID 65288885
1-(azepan-1-yl)-2-[(3-hydroxy-4-methoxybutyl)amino]ethanone
CID 114163624
2-(azepane-1-carbonylamino)-5-methoxypentanoic acid
CID 81076676
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-methoxypropan-2-ylamino)ethanone
CID 126807670
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid
CID 81077471
(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077
2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone
CID 75504575

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid (CID 103262728) is 3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid is COCC(NCC(=O)N1CCCCC1)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid?
The InChIKey is FQXZGSZXFJTRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-17-8-9(11(15)16)12-7-10(14)13-5-3-2-4-6-13/h9,12H,2-8H2,1H3,(H,15,16).
What are the key properties of 3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid?
3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid is sourced from PubChem (CID 103262728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).