acetic acid;4-methoxybutanimidamide

C7H16N2O3 — CID 162326172

IUPACacetic acid;4-methoxybutanimidamide
SMILESCC(=O)O.[H]/N=C(/N)CCCOC
InChIInChI=1S/C5H12N2O.C2H4O2/c1-8-4-2-3-5(6)7;1-2(3)4/h2-4H2,1H3,(H3,6,7);1H3,(H,3,4)
InChIKeyNBNFPWWNROMTPX-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.44
Rot. Bonds4

About acetic acid;4-methoxybutanimidamide

acetic acid;4-methoxybutanimidamide (PubChem CID 162326172) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is acetic acid;4-methoxybutanimidamide.

Molecular Properties

Compound Nameacetic acid;4-methoxybutanimidamide
PubChem CID162326172
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Nameacetic acid;4-methoxybutanimidamide
SMILESCC(=O)O.[H]/N=C(/N)CCCOC
InChIInChI=1S/C5H12N2O.C2H4O2/c1-8-4-2-3-5(6)7;1-2(3)4/h2-4H2,1H3,(H3,6,7);1H3,(H,3,4)
InChIKeyNBNFPWWNROMTPX-UHFFFAOYSA-N
XLogP0.44
TPSA96.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(4-amino-4-iminobutyl) acetate
CID 118644708
(5-amino-5-iminopentyl) acetate
CID 54523282
2-(3-methoxypropoxy)ethanimidamide
CID 60917620
4-methoxybutanamide
CID 22414177
4-methoxybutanamide;hydrochloride
CID 141117964
8-amino-8-iminooctanoic acid
CID 139654610
2-(3-amino-3-iminopropoxy)acetic acid
CID 89185715
acetic acid;tert-butyl N-(5-amino-5-iminopentyl)carbamate
CID 167720461
methyl 2,7-diamino-7-iminoheptanoate
CID 58214559
methyl 7-amino-7-imino-2-methylheptanoate
CID 58186401
5-amino-6-oxoheptanimidamide
CID 58534097
4-hexoxybutanimidamide
CID 29003057

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-methoxybutanimidamide?
The IUPAC name of acetic acid;4-methoxybutanimidamide (CID 162326172) is acetic acid;4-methoxybutanimidamide.
What is the SMILES notation for acetic acid;4-methoxybutanimidamide?
The canonical SMILES for acetic acid;4-methoxybutanimidamide is CC(=O)O.[H]/N=C(/N)CCCOC.
What is the InChIKey of acetic acid;4-methoxybutanimidamide?
The InChIKey is NBNFPWWNROMTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.C2H4O2/c1-8-4-2-3-5(6)7;1-2(3)4/h2-4H2,1H3,(H3,6,7);1H3,(H,3,4).
What are the key properties of acetic acid;4-methoxybutanimidamide?
acetic acid;4-methoxybutanimidamide has a molecular weight of 176.22 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-methoxybutanimidamide is sourced from PubChem (CID 162326172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).