2-methyl-5-(2-methylprop-2-enoylamino)pent-2-enoic acid

C10H15NO3 — CID 91027020

IUPAC2-methyl-5-(2-methylprop-2-enoylamino)pent-2-enoic acid
SMILESC=C(C)C(=O)NCCC=C(C)C(=O)O
InChIInChI=1S/C10H15NO3/c1-7(2)9(12)11-6-4-5-8(3)10(13)14/h5H,1,4,6H2,2-3H3,(H,11,12)(H,13,14)
InChIKeyOSEDLTAGVNWCRO-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.10
Rot. Bonds5

About 2-methyl-5-(2-methylprop-2-enoylamino)pent-2-enoic acid

2-methyl-5-(2-methylprop-2-enoylamino)pent-2-enoic acid (PubChem CID 91027020) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-methyl-5-(2-methylprop-2-enoylamino)pent-2-enoic acid.

Molecular Properties

Compound Name2-methyl-5-(2-methylprop-2-enoylamino)pent-2-enoic acid
PubChem CID91027020
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-methyl-5-(2-methylprop-2-enoylamino)pent-2-enoic acid
SMILESC=C(C)C(=O)NCCC=C(C)C(=O)O
InChIInChI=1S/C10H15NO3/c1-7(2)9(12)11-6-4-5-8(3)10(13)14/h5H,1,4,6H2,2-3H3,(H,11,12)(H,13,14)
InChIKeyOSEDLTAGVNWCRO-UHFFFAOYSA-N
XLogP1.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylprop-2-enoylamino)pent-2-enoic acid?
The IUPAC name of 2-methyl-5-(2-methylprop-2-enoylamino)pent-2-enoic acid (CID 91027020) is 2-methyl-5-(2-methylprop-2-enoylamino)pent-2-enoic acid.
What is the SMILES notation for 2-methyl-5-(2-methylprop-2-enoylamino)pent-2-enoic acid?
The canonical SMILES for 2-methyl-5-(2-methylprop-2-enoylamino)pent-2-enoic acid is C=C(C)C(=O)NCCC=C(C)C(=O)O.
What is the InChIKey of 2-methyl-5-(2-methylprop-2-enoylamino)pent-2-enoic acid?
The InChIKey is OSEDLTAGVNWCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(2)9(12)11-6-4-5-8(3)10(13)14/h5H,1,4,6H2,2-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-methyl-5-(2-methylprop-2-enoylamino)pent-2-enoic acid?
2-methyl-5-(2-methylprop-2-enoylamino)pent-2-enoic acid has a molecular weight of 197.23 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylprop-2-enoylamino)pent-2-enoic acid is sourced from PubChem (CID 91027020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).