3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid

C11H20N2O5 — CID 81084937

IUPAC3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid
SMILESCOCC(NC(=O)N1CCC(OC)CC1)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-17-7-9(10(14)15)12-11(16)13-5-3-8(18-2)4-6-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyIQBKJFPZKOSRIN-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.09
Rot. Bonds5

About 3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid

3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 81084937) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid
PubChem CID81084937
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid
SMILESCOCC(NC(=O)N1CCC(OC)CC1)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-17-7-9(10(14)15)12-11(16)13-5-3-8(18-2)4-6-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyIQBKJFPZKOSRIN-UHFFFAOYSA-N
XLogP-0.09
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid
CID 103536327
2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61199167
5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197274
(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 103082201
(2S)-5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197661
2-(azepane-1-carbonylamino)-3-methoxypropanoic acid
CID 81077084
(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61197467
3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid
CID 81077004
2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 103536055
(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid
CID 103536216
2-[(3-tert-butylpyrrolidine-1-carbonyl)amino]-3-methoxypropanoic acid
CID 113418214
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-3-methoxypropanoic acid
CID 81115148

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid (CID 81084937) is 3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid is COCC(NC(=O)N1CCC(OC)CC1)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is IQBKJFPZKOSRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-17-7-9(10(14)15)12-11(16)13-5-3-8(18-2)4-6-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid?
3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 81084937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).