3-methoxy-2-[methyl(oxan-4-yl)amino]propanoic acid

C10H19NO4 — CID 103224554

IUPAC3-methoxy-2-[methyl(oxan-4-yl)amino]propanoic acid
SMILESCOCC(C(=O)O)N(C)C1CCOCC1
InChIInChI=1S/C10H19NO4/c1-11(8-3-5-15-6-4-8)9(7-14-2)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyQNWKVYIUOKIMFD-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.20
Rot. Bonds5

About 3-methoxy-2-[methyl(oxan-4-yl)amino]propanoic acid

3-methoxy-2-[methyl(oxan-4-yl)amino]propanoic acid (PubChem CID 103224554) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-methoxy-2-[methyl(oxan-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[methyl(oxan-4-yl)amino]propanoic acid
PubChem CID103224554
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-methoxy-2-[methyl(oxan-4-yl)amino]propanoic acid
SMILESCOCC(C(=O)O)N(C)C1CCOCC1
InChIInChI=1S/C10H19NO4/c1-11(8-3-5-15-6-4-8)9(7-14-2)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyQNWKVYIUOKIMFD-UHFFFAOYSA-N
XLogP0.20
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl(methyl)amino]-3-methoxypropanoic acid
CID 103224494
2-[methyl(oxepan-4-yl)amino]butanoic acid
CID 65080725
3-amino-2-[methyl(oxolan-3-yl)amino]propanoic acid
CID 82734246
3-amino-4-methoxy-2-[methyl(oxan-4-yl)amino]butan-1-ol
CID 114356718
4-methyl-2-[methyl(oxolan-3-yl)amino]pentanoic acid
CID 110838535
3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid
CID 82742368
(2S)-3-hydroxy-2-[methyl(piperidin-4-yl)amino]propanoic acid
CID 121482131
4-amino-2-[cyclopropyl(methyl)amino]butanoic acid
CID 64692953
3-methoxy-2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide
CID 103229662
2-[methyl(oxan-4-yl)amino]pentan-3-one
CID 64868191
3-methoxy-1-N-methyl-1-N-(oxan-4-yl)propane-1,2-diamine
CID 63937893
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methoxypropanoic acid
CID 103224685

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[methyl(oxan-4-yl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[methyl(oxan-4-yl)amino]propanoic acid (CID 103224554) is 3-methoxy-2-[methyl(oxan-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[methyl(oxan-4-yl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[methyl(oxan-4-yl)amino]propanoic acid is COCC(C(=O)O)N(C)C1CCOCC1.
What is the InChIKey of 3-methoxy-2-[methyl(oxan-4-yl)amino]propanoic acid?
The InChIKey is QNWKVYIUOKIMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-11(8-3-5-15-6-4-8)9(7-14-2)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-methoxy-2-[methyl(oxan-4-yl)amino]propanoic acid?
3-methoxy-2-[methyl(oxan-4-yl)amino]propanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[methyl(oxan-4-yl)amino]propanoic acid is sourced from PubChem (CID 103224554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).