2-methylidene-5-(2-methylprop-2-enoylamino)pentanoic acid

C10H15NO3 — CID 18407922

IUPAC2-methylidene-5-(2-methylprop-2-enoylamino)pentanoic acid
SMILESC=C(C)C(=O)NCCCC(=C)C(=O)O
InChIInChI=1S/C10H15NO3/c1-7(2)9(12)11-6-4-5-8(3)10(13)14/h1,3-6H2,2H3,(H,11,12)(H,13,14)
InChIKeyPFGNLLJOFFDWQS-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.10
Rot. Bonds6

About 2-methylidene-5-(2-methylprop-2-enoylamino)pentanoic acid

2-methylidene-5-(2-methylprop-2-enoylamino)pentanoic acid (PubChem CID 18407922) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-methylidene-5-(2-methylprop-2-enoylamino)pentanoic acid.

Molecular Properties

Compound Name2-methylidene-5-(2-methylprop-2-enoylamino)pentanoic acid
PubChem CID18407922
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-methylidene-5-(2-methylprop-2-enoylamino)pentanoic acid
SMILESC=C(C)C(=O)NCCCC(=C)C(=O)O
InChIInChI=1S/C10H15NO3/c1-7(2)9(12)11-6-4-5-8(3)10(13)14/h1,3-6H2,2H3,(H,11,12)(H,13,14)
InChIKeyPFGNLLJOFFDWQS-UHFFFAOYSA-N
XLogP1.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.10
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

N-(4,5-dimethylhex-4-enyl)-2-methylprop-2-enamide
CID 175606829
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide
CID 87191392
2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide
CID 166886440
N-(3-bromopropyl)-2-methylprop-2-enamide
CID 86134938
N-icosyl-2-methylprop-2-enamide
CID 22336363
2-methylidenehexanoic acid;zinc
CID 174824467
7-[3-(2-methylprop-2-enoylamino)propylamino]-7-oxoheptanoic acid
CID 118143870
2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide
CID 118147374
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen
CID 143745168
2-[3-(2-methylprop-2-enoylamino)propylamino]propanedioic acid
CID 87206701

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5-(2-methylprop-2-enoylamino)pentanoic acid?
The IUPAC name of 2-methylidene-5-(2-methylprop-2-enoylamino)pentanoic acid (CID 18407922) is 2-methylidene-5-(2-methylprop-2-enoylamino)pentanoic acid.
What is the SMILES notation for 2-methylidene-5-(2-methylprop-2-enoylamino)pentanoic acid?
The canonical SMILES for 2-methylidene-5-(2-methylprop-2-enoylamino)pentanoic acid is C=C(C)C(=O)NCCCC(=C)C(=O)O.
What is the InChIKey of 2-methylidene-5-(2-methylprop-2-enoylamino)pentanoic acid?
The InChIKey is PFGNLLJOFFDWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(2)9(12)11-6-4-5-8(3)10(13)14/h1,3-6H2,2H3,(H,11,12)(H,13,14).
What are the key properties of 2-methylidene-5-(2-methylprop-2-enoylamino)pentanoic acid?
2-methylidene-5-(2-methylprop-2-enoylamino)pentanoic acid has a molecular weight of 197.23 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-(2-methylprop-2-enoylamino)pentanoic acid is sourced from PubChem (CID 18407922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).