2-(methoxymethylamino)propanoic acid

C5H11NO3 — CID 22892072

IUPAC2-(methoxymethylamino)propanoic acid
SMILESCOCNC(C)C(=O)O
InChIInChI=1S/C5H11NO3/c1-4(5(7)8)6-3-9-2/h4,6H,3H2,1-2H3,(H,7,8)
InChIKeyDNQUXBNJNXBJTP-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.35
Rot. Bonds4

About 2-(methoxymethylamino)propanoic acid

2-(methoxymethylamino)propanoic acid (PubChem CID 22892072) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-(methoxymethylamino)propanoic acid.

Molecular Properties

Compound Name2-(methoxymethylamino)propanoic acid
PubChem CID22892072
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name2-(methoxymethylamino)propanoic acid
SMILESCOCNC(C)C(=O)O
InChIInChI=1S/C5H11NO3/c1-4(5(7)8)6-3-9-2/h4,6H,3H2,1-2H3,(H,7,8)
InChIKeyDNQUXBNJNXBJTP-UHFFFAOYSA-N
XLogP-0.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid
CID 103410935
(2R)-2-(ethylamino)propanoic acid;hydrochloride
CID 87428202
(2R)-2-(sulfanylmethylamino)propanoic acid
CID 54134346
2-(carboxymethylamino)propanoic acid
CID 2764308
2-[(2,3,4,5,6-pentamethoxyphenyl)methylamino]propanoic acid
CID 88769735
(2S)-2-(2-fluoroethylamino)propanoic acid
CID 83192654
2-(3-methylbutylamino)propanoic acid
CID 16769163
(2R)-2-(3-methylbutylamino)propanoic acid
CID 20848021
2-(2-methoxyethoxymethylcarbamoylamino)propanoic acid
CID 108894318
2-(cyclopentylmethylamino)propanoic acid
CID 61344306
2-(2-carbamoyloxyethylamino)propanoic acid
CID 83210628
(2S)-2-(acetamidomethylamino)propanoic acid
CID 71351158

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethylamino)propanoic acid?
The IUPAC name of 2-(methoxymethylamino)propanoic acid (CID 22892072) is 2-(methoxymethylamino)propanoic acid.
What is the SMILES notation for 2-(methoxymethylamino)propanoic acid?
The canonical SMILES for 2-(methoxymethylamino)propanoic acid is COCNC(C)C(=O)O.
What is the InChIKey of 2-(methoxymethylamino)propanoic acid?
The InChIKey is DNQUXBNJNXBJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-4(5(7)8)6-3-9-2/h4,6H,3H2,1-2H3,(H,7,8).
What are the key properties of 2-(methoxymethylamino)propanoic acid?
2-(methoxymethylamino)propanoic acid has a molecular weight of 133.15 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethylamino)propanoic acid is sourced from PubChem (CID 22892072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).