7-(methylamino)-2-methylideneheptanoic acid

C9H17NO2 — CID 118649610

IUPAC7-(methylamino)-2-methylideneheptanoic acid
SMILESC=C(CCCCCNC)C(=O)O
InChIInChI=1S/C9H17NO2/c1-8(9(11)12)6-4-3-5-7-10-2/h10H,1,3-7H2,2H3,(H,11,12)
InChIKeyZAWYBVSHGINFAA-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.41
Rot. Bonds7

About 7-(methylamino)-2-methylideneheptanoic acid

7-(methylamino)-2-methylideneheptanoic acid (PubChem CID 118649610) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 7-(methylamino)-2-methylideneheptanoic acid.

Molecular Properties

Compound Name7-(methylamino)-2-methylideneheptanoic acid
PubChem CID118649610
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name7-(methylamino)-2-methylideneheptanoic acid
SMILESC=C(CCCCCNC)C(=O)O
InChIInChI=1S/C9H17NO2/c1-8(9(11)12)6-4-3-5-7-10-2/h10H,1,3-7H2,2H3,(H,11,12)
InChIKeyZAWYBVSHGINFAA-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,11-dimethylidenedodecanedioic acid
CID 20542368
7-(butylamino)-2-methylideneheptanoic acid
CID 88729465
6-(methylamino)hexanoic acid
CID 4989372
6-(ethylamino)-2-methylidenehexanoic acid
CID 22731125
2-methylidene-6-(propylamino)hexanoic acid
CID 22266622
2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
5-(methylamino)pentanoic acid
CID 91583432
13-(methylamino)tridecan-2-one
CID 23382037
2-methylidene-7-oxooctanoic acid
CID 87625234
ethane;5-(methylamino)pentanoic acid
CID 178043439
5-(methylamino)-2-methylidenepentanoate
CID 22247059
N-methyl-11-(methylamino)undecanamide
CID 59809097

Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)-2-methylideneheptanoic acid?
The IUPAC name of 7-(methylamino)-2-methylideneheptanoic acid (CID 118649610) is 7-(methylamino)-2-methylideneheptanoic acid.
What is the SMILES notation for 7-(methylamino)-2-methylideneheptanoic acid?
The canonical SMILES for 7-(methylamino)-2-methylideneheptanoic acid is C=C(CCCCCNC)C(=O)O.
What is the InChIKey of 7-(methylamino)-2-methylideneheptanoic acid?
The InChIKey is ZAWYBVSHGINFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(9(11)12)6-4-3-5-7-10-2/h10H,1,3-7H2,2H3,(H,11,12).
What are the key properties of 7-(methylamino)-2-methylideneheptanoic acid?
7-(methylamino)-2-methylideneheptanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)-2-methylideneheptanoic acid is sourced from PubChem (CID 118649610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).