2-(3-methoxypropylamino)acetyl chloride

C6H12ClNO2 — CID 174793252

IUPAC2-(3-methoxypropylamino)acetyl chloride
SMILESCOCCCNCC(=O)Cl
InChIInChI=1S/C6H12ClNO2/c1-10-4-2-3-8-5-6(7)9/h8H,2-5H2,1H3
InChIKeyBOGHEBAKRKOWAW-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.38
Rot. Bonds6

About 2-(3-methoxypropylamino)acetyl chloride

2-(3-methoxypropylamino)acetyl chloride (PubChem CID 174793252) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)acetyl chloride.

Molecular Properties

Compound Name2-(3-methoxypropylamino)acetyl chloride
PubChem CID174793252
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name2-(3-methoxypropylamino)acetyl chloride
SMILESCOCCCNCC(=O)Cl
InChIInChI=1S/C6H12ClNO2/c1-10-4-2-3-8-5-6(7)9/h8H,2-5H2,1H3
InChIKeyBOGHEBAKRKOWAW-UHFFFAOYSA-N
XLogP0.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-N-(3-methoxypropyl)prop-2-en-1-amine
CID 79167154
2-(butylamino)acetyl chloride;hydrochloride
CID 87301147
N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide
CID 43153290
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
2-(2-hydroxyethylamino)-N-(3-methoxypropyl)acetamide
CID 60647414
5-(3-methoxypropylamino)pentanoic acid
CID 103237135
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methoxypropyl)acetamide
CID 106309953
N-cyclohexyl-2-(3-methoxypropylamino)acetamide
CID 43089974
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
2-chloro-N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine
CID 103179451
2,2-dichloro-N-(3-methoxypropyl)acetamide
CID 3598343
2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide
CID 106336845

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)acetyl chloride?
The IUPAC name of 2-(3-methoxypropylamino)acetyl chloride (CID 174793252) is 2-(3-methoxypropylamino)acetyl chloride.
What is the SMILES notation for 2-(3-methoxypropylamino)acetyl chloride?
The canonical SMILES for 2-(3-methoxypropylamino)acetyl chloride is COCCCNCC(=O)Cl.
What is the InChIKey of 2-(3-methoxypropylamino)acetyl chloride?
The InChIKey is BOGHEBAKRKOWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2/c1-10-4-2-3-8-5-6(7)9/h8H,2-5H2,1H3.
What are the key properties of 2-(3-methoxypropylamino)acetyl chloride?
2-(3-methoxypropylamino)acetyl chloride has a molecular weight of 165.62 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)acetyl chloride is sourced from PubChem (CID 174793252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).