5-[3-carboxypropyl(methyl)amino]-2-methylidenepentanoic acid

C11H19NO4 — CID 19736145

IUPAC5-[3-carboxypropyl(methyl)amino]-2-methylidenepentanoic acid
SMILESC=C(CCCN(C)CCCC(=O)O)C(=O)O
InChIInChI=1S/C11H19NO4/c1-9(11(15)16)5-3-7-12(2)8-4-6-10(13)14/h1,3-8H2,2H3,(H,13,14)(H,15,16)
InChIKeyNOGQCOXKBQEPDP-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.20
Rot. Bonds9

About 5-[3-carboxypropyl(methyl)amino]-2-methylidenepentanoic acid

5-[3-carboxypropyl(methyl)amino]-2-methylidenepentanoic acid (PubChem CID 19736145) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-[3-carboxypropyl(methyl)amino]-2-methylidenepentanoic acid.

Molecular Properties

Compound Name5-[3-carboxypropyl(methyl)amino]-2-methylidenepentanoic acid
PubChem CID19736145
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name5-[3-carboxypropyl(methyl)amino]-2-methylidenepentanoic acid
SMILESC=C(CCCN(C)CCCC(=O)O)C(=O)O
InChIInChI=1S/C11H19NO4/c1-9(11(15)16)5-3-7-12(2)8-4-6-10(13)14/h1,3-8H2,2H3,(H,13,14)(H,15,16)
InChIKeyNOGQCOXKBQEPDP-UHFFFAOYSA-N
XLogP1.20
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-carboxypropyl(methyl)amino]-2-methylidenepentanoic acid?
The IUPAC name of 5-[3-carboxypropyl(methyl)amino]-2-methylidenepentanoic acid (CID 19736145) is 5-[3-carboxypropyl(methyl)amino]-2-methylidenepentanoic acid.
What is the SMILES notation for 5-[3-carboxypropyl(methyl)amino]-2-methylidenepentanoic acid?
The canonical SMILES for 5-[3-carboxypropyl(methyl)amino]-2-methylidenepentanoic acid is C=C(CCCN(C)CCCC(=O)O)C(=O)O.
What is the InChIKey of 5-[3-carboxypropyl(methyl)amino]-2-methylidenepentanoic acid?
The InChIKey is NOGQCOXKBQEPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-9(11(15)16)5-3-7-12(2)8-4-6-10(13)14/h1,3-8H2,2H3,(H,13,14)(H,15,16).
What are the key properties of 5-[3-carboxypropyl(methyl)amino]-2-methylidenepentanoic acid?
5-[3-carboxypropyl(methyl)amino]-2-methylidenepentanoic acid has a molecular weight of 229.28 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-carboxypropyl(methyl)amino]-2-methylidenepentanoic acid is sourced from PubChem (CID 19736145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).