2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid

C8H17NO3 — CID 23363391

IUPAC2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
SMILESCNC(COC(C)(C)C)C(=O)O
InChIInChI=1S/C8H17NO3/c1-8(2,3)12-5-6(9-4)7(10)11/h6,9H,5H2,1-4H3,(H,10,11)
InChIKeyDLTSMSCPUUWYDX-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.47
Rot. Bonds4

About 2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid

2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid (PubChem CID 23363391) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid.

Molecular Properties

Compound Name2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
PubChem CID23363391
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
SMILESCNC(COC(C)(C)C)C(=O)O
InChIInChI=1S/C8H17NO3/c1-8(2,3)12-5-6(9-4)7(10)11/h6,9H,5H2,1-4H3,(H,10,11)
InChIKeyDLTSMSCPUUWYDX-UHFFFAOYSA-N
XLogP0.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 89152720
(2S)-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 14059342
(2S)-2-anilino-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 69079493
(2S)-3-(3-hydroxy-3-methylbutoxy)-2-(methylamino)propanoic acid
CID 142490853
(2S)-2-(2,2-difluoroethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 112737581
(2S)-2-(methylamino)-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]-3-phenylpropanamide
CID 122467823
(2S)-2-(methylamino)-3-propoxypropanoic acid
CID 142490785
3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoic acid
CID 106666683
(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoic acid;chloromethane
CID 160898573
(2S)-3-[(2S)-2-hydroxypropoxy]-2-(methylamino)propanoic acid;hydrochloride
CID 170898246
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid
CID 104565015
(2S)-2-(cyclobutylmethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 112737539

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid?
The IUPAC name of 2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid (CID 23363391) is 2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid.
What is the SMILES notation for 2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid?
The canonical SMILES for 2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid is CNC(COC(C)(C)C)C(=O)O.
What is the InChIKey of 2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid?
The InChIKey is DLTSMSCPUUWYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(2,3)12-5-6(9-4)7(10)11/h6,9H,5H2,1-4H3,(H,10,11).
What are the key properties of 2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid?
2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid is sourced from PubChem (CID 23363391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).