2-(3-methoxypropylamino)acetic acid

C6H13NO3 — CID 43153282

IUPAC2-(3-methoxypropylamino)acetic acid
SMILESCOCCCNCC(=O)O
InChIInChI=1S/C6H13NO3/c1-10-4-2-3-7-5-6(8)9/h7H,2-5H2,1H3,(H,8,9)
InChIKeyIMGMUZYPDHRPGZ-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.30
Rot. Bonds6

About 2-(3-methoxypropylamino)acetic acid

2-(3-methoxypropylamino)acetic acid (PubChem CID 43153282) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)acetic acid.

Molecular Properties

Compound Name2-(3-methoxypropylamino)acetic acid
PubChem CID43153282
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-(3-methoxypropylamino)acetic acid
SMILESCOCCCNCC(=O)O
InChIInChI=1S/C6H13NO3/c1-10-4-2-3-7-5-6(8)9/h7H,2-5H2,1H3,(H,8,9)
InChIKeyIMGMUZYPDHRPGZ-UHFFFAOYSA-N
XLogP-0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.30
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

N-Ethylglycine
CID 316542
N-(2-Hydroxyethyl)glycine
CID 225935
N-Isobutylglycine
CID 10261121
Ethyl 2-(propylamino)acetate
CID 13454968
Methyl 2-[(2-methoxyethyl)amino]acetate
CID 28565694
Oxamic Acid/Ester, 25
CID 16112059
2-(Propylamino)acetic acid hydrochloride
CID 24186928
Sodium 2-[(3-hydroxypropyl)amino]acetate
CID 88638121
2-[(Butan-2-yl)amino]acetic acid
CID 42811
Glycine, N-(3-hydroxypropyl)-
CID 10313156
NoName_600
CID 413376
Glycine, N-propyl-
CID 414243

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)acetic acid?
The IUPAC name of 2-(3-methoxypropylamino)acetic acid (CID 43153282) is 2-(3-methoxypropylamino)acetic acid.
What is the SMILES notation for 2-(3-methoxypropylamino)acetic acid?
The canonical SMILES for 2-(3-methoxypropylamino)acetic acid is COCCCNCC(=O)O.
What is the InChIKey of 2-(3-methoxypropylamino)acetic acid?
The InChIKey is IMGMUZYPDHRPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-10-4-2-3-7-5-6(8)9/h7H,2-5H2,1H3,(H,8,9).
What are the key properties of 2-(3-methoxypropylamino)acetic acid?
2-(3-methoxypropylamino)acetic acid has a molecular weight of 147.17 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)acetic acid is sourced from PubChem (CID 43153282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).