(2S)-2-(methylamino)-3-propoxypropanoic acid

C7H15NO3 — CID 142490785

IUPAC(2S)-2-(methylamino)-3-propoxypropanoic acid
SMILESCCCOC[C@H](NC)C(=O)O
InChIInChI=1S/C7H15NO3/c1-3-4-11-5-6(8-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyBJISTZUORAPKHZ-LURJTMIESA-N
MW161.20 g/mol
LogP0.09
Rot. Bonds6

About (2S)-2-(methylamino)-3-propoxypropanoic acid

(2S)-2-(methylamino)-3-propoxypropanoic acid (PubChem CID 142490785) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2S)-2-(methylamino)-3-propoxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-(methylamino)-3-propoxypropanoic acid
PubChem CID142490785
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2S)-2-(methylamino)-3-propoxypropanoic acid
SMILESCCCOC[C@H](NC)C(=O)O
InChIInChI=1S/C7H15NO3/c1-3-4-11-5-6(8-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyBJISTZUORAPKHZ-LURJTMIESA-N
XLogP0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.09
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

(2R)-3-butoxy-2-(methylamino)propanoic acid
CID 89283521
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid
CID 104565015
(2S)-3-(3-hydroxy-3-methylbutoxy)-2-(methylamino)propanoic acid
CID 142490853
3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoic acid
CID 106666683
(2S)-3-[(2S)-2-hydroxypropoxy]-2-(methylamino)propanoic acid;hydrochloride
CID 170898246
(2R)-2-[[(2R)-2-[[(2R)-3-butoxy-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid
CID 89283477
(2R)-2-(methylamino)pentanoic acid
CID 15677248
propyl 2-methyl-3-propoxypropanoate
CID 54511577
2-(methylamino)-4-pentoxybutanoic acid
CID 63034607
2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 23363391
ethane;2-(methylamino)butanoic acid
CID 91558033
2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid
CID 104565225

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-3-propoxypropanoic acid?
The IUPAC name of (2S)-2-(methylamino)-3-propoxypropanoic acid (CID 142490785) is (2S)-2-(methylamino)-3-propoxypropanoic acid.
What is the SMILES notation for (2S)-2-(methylamino)-3-propoxypropanoic acid?
The canonical SMILES for (2S)-2-(methylamino)-3-propoxypropanoic acid is CCCOC[C@H](NC)C(=O)O.
What is the InChIKey of (2S)-2-(methylamino)-3-propoxypropanoic acid?
The InChIKey is BJISTZUORAPKHZ-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO3/c1-3-4-11-5-6(8-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-3-propoxypropanoic acid?
(2S)-2-(methylamino)-3-propoxypropanoic acid has a molecular weight of 161.20 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-3-propoxypropanoic acid is sourced from PubChem (CID 142490785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).