5-imino-4-methylhexanoic acid

C7H13NO2 — CID 123554623

IUPAC5-imino-4-methylhexanoic acid
SMILES[H]/N=C(\C)C(C)CCC(=O)O
InChIInChI=1S/C7H13NO2/c1-5(6(2)8)3-4-7(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/b8-6+
InChIKeyOISGIPDSPKFFLP-SOFGYWHQSA-N
MW143.19 g/mol
LogP1.53
Rot. Bonds4

About 5-imino-4-methylhexanoic acid

5-imino-4-methylhexanoic acid (PubChem CID 123554623) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 5-imino-4-methylhexanoic acid.

Molecular Properties

Compound Name5-imino-4-methylhexanoic acid
PubChem CID123554623
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name5-imino-4-methylhexanoic acid
SMILES[H]/N=C(\C)C(C)CCC(=O)O
InChIInChI=1S/C7H13NO2/c1-5(6(2)8)3-4-7(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/b8-6+
InChIKeyOISGIPDSPKFFLP-SOFGYWHQSA-N
XLogP1.53
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyloct-7-ene-2,6-diimine
CID 167256727
calcium;hydride;2-methylpentanedioic acid
CID 173414295
(4R)-5-amino-4-methyl-5-oxopentanoic acid
CID 170269048
4-carbamimidoyl-5-methylhexanoic acid
CID 141366618
N,N-dimethylmethanamine;2-methylpentanedioic acid
CID 174605031
(2S)-2-(prop-1-en-2-ylamino)pentanedioic acid
CID 89274220
2-methylpentanedioic acid;3-methylpentanedioic acid
CID 159942344
4-hydrazinyl-5-oxohexanoic acid
CID 88944319
(2R)-2-acetamidopentanedioic acid
CID 161394708
2-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 87414279
7-imino-2-methyloctanoic acid
CID 58165156
magnesium;hydride;4-methylpentanoic acid
CID 174689724

Frequently Asked Questions

What is the IUPAC name of 5-imino-4-methylhexanoic acid?
The IUPAC name of 5-imino-4-methylhexanoic acid (CID 123554623) is 5-imino-4-methylhexanoic acid.
What is the SMILES notation for 5-imino-4-methylhexanoic acid?
The canonical SMILES for 5-imino-4-methylhexanoic acid is [H]/N=C(\C)C(C)CCC(=O)O.
What is the InChIKey of 5-imino-4-methylhexanoic acid?
The InChIKey is OISGIPDSPKFFLP-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(6(2)8)3-4-7(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/b8-6+.
What are the key properties of 5-imino-4-methylhexanoic acid?
5-imino-4-methylhexanoic acid has a molecular weight of 143.19 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-4-methylhexanoic acid is sourced from PubChem (CID 123554623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).