2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid

C9H19NO5 — CID 103224662

IUPAC2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid
SMILESCOCC(O)CN(C)C(COC)C(=O)O
InChIInChI=1S/C9H19NO5/c1-10(4-7(11)5-14-2)8(6-15-3)9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyLLWCDTCVENEDSG-UHFFFAOYSA-N
MW221.25 g/mol
LogP-0.97
Rot. Bonds8

About 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid

2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid (PubChem CID 103224662) has the molecular formula C9H19NO5 and a molecular weight of 221.25 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid
PubChem CID103224662
Molecular FormulaC9H19NO5
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid
SMILESCOCC(O)CN(C)C(COC)C(=O)O
InChIInChI=1S/C9H19NO5/c1-10(4-7(11)5-14-2)8(6-15-3)9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyLLWCDTCVENEDSG-UHFFFAOYSA-N
XLogP-0.97
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanehydrazide
CID 103229676
methyl 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbutanoate
CID 79406690
3-methoxy-2-[methyl(2-methylpropyl)amino]propanehydrazide
CID 103229498
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methoxypropanoic acid
CID 103224685
3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid
CID 103224591
N-(2-hydroxy-3-methoxypropyl)-N-methyldecanamide
CID 54993682
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-3-methoxypropanoic acid
CID 103224684
3-ethoxy-2-[methyl(2-methylpropyl)amino]propanoic acid
CID 163401072
2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid
CID 63931350
3-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]propanoic acid
CID 103224638
2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylpropanamide
CID 81089598
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N,2-diphenylacetamide
CID 111543934

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid (CID 103224662) is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid is COCC(O)CN(C)C(COC)C(=O)O.
What is the InChIKey of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid?
The InChIKey is LLWCDTCVENEDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5/c1-10(4-7(11)5-14-2)8(6-15-3)9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid?
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid has a molecular weight of 221.25 g/mol, XLogP of -0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid is sourced from PubChem (CID 103224662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).