2-(methylamino)-4-(oxolan-3-yloxy)butanoic acid

C9H17NO4 — CID 63557695

IUPAC2-(methylamino)-4-(oxolan-3-yloxy)butanoic acid
SMILESCNC(CCOC1CCOC1)C(=O)O
InChIInChI=1S/C9H17NO4/c1-10-8(9(11)12)3-5-14-7-2-4-13-6-7/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyCEQOAPCYDYTZJM-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.15
Rot. Bonds6

About 2-(methylamino)-4-(oxolan-3-yloxy)butanoic acid

2-(methylamino)-4-(oxolan-3-yloxy)butanoic acid (PubChem CID 63557695) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(methylamino)-4-(oxolan-3-yloxy)butanoic acid.

Molecular Properties

Compound Name2-(methylamino)-4-(oxolan-3-yloxy)butanoic acid
PubChem CID63557695
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-(methylamino)-4-(oxolan-3-yloxy)butanoic acid
SMILESCNC(CCOC1CCOC1)C(=O)O
InChIInChI=1S/C9H17NO4/c1-10-8(9(11)12)3-5-14-7-2-4-13-6-7/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyCEQOAPCYDYTZJM-UHFFFAOYSA-N
XLogP-0.15
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-4-(oxan-4-yloxy)butanoic acid
CID 63040373
2-(ethylamino)-4-(oxolan-3-yloxy)butanoic acid
CID 63558292
ethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate
CID 55214308
3-(oxolan-3-yloxy)-2-(propylamino)propanoic acid
CID 63558901
4-(oxolan-3-yloxy)butan-2-one
CID 63559452
2-methyl-2-(methylamino)-5-(oxolan-3-yloxy)pentanoic acid
CID 63557693
4-(cyclopropylmethoxy)-2-(methylamino)butanoic acid
CID 63040806
N-methyl-1-(oxolan-3-yloxy)propan-2-amine
CID 63556835
3-propoxyoxolane
CID 14071397
4-hydroperoxy-2-(methylamino)butanoic acid
CID 59881531
4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid
CID 63039120
2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid
CID 63054217

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(oxolan-3-yloxy)butanoic acid?
The IUPAC name of 2-(methylamino)-4-(oxolan-3-yloxy)butanoic acid (CID 63557695) is 2-(methylamino)-4-(oxolan-3-yloxy)butanoic acid.
What is the SMILES notation for 2-(methylamino)-4-(oxolan-3-yloxy)butanoic acid?
The canonical SMILES for 2-(methylamino)-4-(oxolan-3-yloxy)butanoic acid is CNC(CCOC1CCOC1)C(=O)O.
What is the InChIKey of 2-(methylamino)-4-(oxolan-3-yloxy)butanoic acid?
The InChIKey is CEQOAPCYDYTZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-10-8(9(11)12)3-5-14-7-2-4-13-6-7/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-(methylamino)-4-(oxolan-3-yloxy)butanoic acid?
2-(methylamino)-4-(oxolan-3-yloxy)butanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(oxolan-3-yloxy)butanoic acid is sourced from PubChem (CID 63557695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).