(2R)-3-butoxy-2-(methylamino)propanoic acid

C8H17NO3 — CID 89283521

IUPAC(2R)-3-butoxy-2-(methylamino)propanoic acid
SMILESCCCCOC[C@@H](NC)C(=O)O
InChIInChI=1S/C8H17NO3/c1-3-4-5-12-6-7(9-2)8(10)11/h7,9H,3-6H2,1-2H3,(H,10,11)/t7-/m1/s1
InChIKeyVQVKSAGIVLDDNT-SSDOTTSWSA-N
MW175.23 g/mol
LogP0.48
Rot. Bonds7

About (2R)-3-butoxy-2-(methylamino)propanoic acid

(2R)-3-butoxy-2-(methylamino)propanoic acid (PubChem CID 89283521) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (2R)-3-butoxy-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-butoxy-2-(methylamino)propanoic acid
PubChem CID89283521
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(2R)-3-butoxy-2-(methylamino)propanoic acid
SMILESCCCCOC[C@@H](NC)C(=O)O
InChIInChI=1S/C8H17NO3/c1-3-4-5-12-6-7(9-2)8(10)11/h7,9H,3-6H2,1-2H3,(H,10,11)/t7-/m1/s1
InChIKeyVQVKSAGIVLDDNT-SSDOTTSWSA-N
XLogP0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(methylamino)-3-propoxypropanoic acid
CID 142490785
(2R)-2-[[(2R)-2-[[(2R)-3-butoxy-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid
CID 89283477
3-(2-butoxyethoxy)-2-methylpropanoic acid
CID 43537971
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid
CID 104565015
2-(methylamino)-4-pentoxybutanoic acid
CID 63034607
methyl (2R)-3-butoxy-2-methylpropanoate
CID 88918019
(2S)-3-(3-hydroxy-3-methylbutoxy)-2-(methylamino)propanoic acid
CID 142490853
2-(2-butoxyethylamino)butanoic acid
CID 64667576
3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoic acid
CID 106666683
(2S)-3-[(2S)-2-hydroxypropoxy]-2-(methylamino)propanoic acid;hydrochloride
CID 170898246
3-butoxy-2-(dimethylamino)propanoic acid
CID 171646821
ethyl 3-(2-butoxyethoxy)-2-methylpropanoate
CID 115002806

Frequently Asked Questions

What is the IUPAC name of (2R)-3-butoxy-2-(methylamino)propanoic acid?
The IUPAC name of (2R)-3-butoxy-2-(methylamino)propanoic acid (CID 89283521) is (2R)-3-butoxy-2-(methylamino)propanoic acid.
What is the SMILES notation for (2R)-3-butoxy-2-(methylamino)propanoic acid?
The canonical SMILES for (2R)-3-butoxy-2-(methylamino)propanoic acid is CCCCOC[C@@H](NC)C(=O)O.
What is the InChIKey of (2R)-3-butoxy-2-(methylamino)propanoic acid?
The InChIKey is VQVKSAGIVLDDNT-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO3/c1-3-4-5-12-6-7(9-2)8(10)11/h7,9H,3-6H2,1-2H3,(H,10,11)/t7-/m1/s1.
What are the key properties of (2R)-3-butoxy-2-(methylamino)propanoic acid?
(2R)-3-butoxy-2-(methylamino)propanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-butoxy-2-(methylamino)propanoic acid is sourced from PubChem (CID 89283521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).