5-(methylamino)-2-methylidenepentanoate

C7H12NO2- — CID 22247059

IUPAC5-(methylamino)-2-methylidenepentanoate
SMILESC=C(CCCNC)C(=O)[O-]
InChIInChI=1S/C7H13NO2/c1-6(7(9)10)4-3-5-8-2/h8H,1,3-5H2,2H3,(H,9,10)/p-1
InChIKeyCDAVRENLFXWIJK-UHFFFAOYSA-M
MW142.18 g/mol
LogP-0.71
Rot. Bonds5

About 5-(methylamino)-2-methylidenepentanoate

5-(methylamino)-2-methylidenepentanoate (PubChem CID 22247059) has the molecular formula C7H12NO2- and a molecular weight of 142.18 g/mol. Its IUPAC name is 5-(methylamino)-2-methylidenepentanoate.

Molecular Properties

Compound Name5-(methylamino)-2-methylidenepentanoate
PubChem CID22247059
Molecular FormulaC7H12NO2-
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name5-(methylamino)-2-methylidenepentanoate
SMILESC=C(CCCNC)C(=O)[O-]
InChIInChI=1S/C7H13NO2/c1-6(7(9)10)4-3-5-8-2/h8H,1,3-5H2,2H3,(H,9,10)/p-1
InChIKeyCDAVRENLFXWIJK-UHFFFAOYSA-M
XLogP-0.71
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

zinc bis(2-methylidenehexanoate)
CID 122669315
lead(2+);bis(2-methylidenehexanoate)
CID 88789371
7-(methylamino)-2-methylideneheptanoic acid
CID 118649610
Butanoic acid, 4-(methylamino)-, sodium salt (1:1)
CID 162082656
dilithium;hydride;4-(methylamino)butanoic acid
CID 173352430
sodium 4-hydroxy-2-methylidenebutanoate
CID 23685103
4-amino-2-methylidenebutanoate
CID 22186503
disodium;hydride;4-(methylamino)butanoic acid;sulfane
CID 175037506
N-methyl-4-(methylamino)butanamide;molecular hydrogen
CID 176574478
1-N-methylhept-6-ene-1,6-diamine
CID 142387852
potassium 2-methylidenebutanoate
CID 87611079
2-methylidenebutanedioate;bis(rubidium(1+))
CID 18408060

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-methylidenepentanoate?
The IUPAC name of 5-(methylamino)-2-methylidenepentanoate (CID 22247059) is 5-(methylamino)-2-methylidenepentanoate.
What is the SMILES notation for 5-(methylamino)-2-methylidenepentanoate?
The canonical SMILES for 5-(methylamino)-2-methylidenepentanoate is C=C(CCCNC)C(=O)[O-].
What is the InChIKey of 5-(methylamino)-2-methylidenepentanoate?
The InChIKey is CDAVRENLFXWIJK-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13NO2/c1-6(7(9)10)4-3-5-8-2/h8H,1,3-5H2,2H3,(H,9,10)/p-1.
What are the key properties of 5-(methylamino)-2-methylidenepentanoate?
5-(methylamino)-2-methylidenepentanoate has a molecular weight of 142.18 g/mol, XLogP of -0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-methylidenepentanoate is sourced from PubChem (CID 22247059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).