2-formamido-3-methyloct-2-enoic acid

C10H17NO3 — CID 73413520

IUPAC2-formamido-3-methyloct-2-enoic acid
SMILESCCCCCC(C)=C(NC=O)C(=O)O
InChIInChI=1S/C10H17NO3/c1-3-4-5-6-8(2)9(10(13)14)11-7-12/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyZRGGYHBSCHZWBA-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.67
Rot. Bonds7

About 2-formamido-3-methyloct-2-enoic acid

2-formamido-3-methyloct-2-enoic acid (PubChem CID 73413520) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-formamido-3-methyloct-2-enoic acid.

Molecular Properties

Compound Name2-formamido-3-methyloct-2-enoic acid
PubChem CID73413520
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-formamido-3-methyloct-2-enoic acid
SMILESCCCCCC(C)=C(NC=O)C(=O)O
InChIInChI=1S/C10H17NO3/c1-3-4-5-6-8(2)9(10(13)14)11-7-12/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyZRGGYHBSCHZWBA-UHFFFAOYSA-N
XLogP1.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-formyloctadecanamide
CID 54418147
N-(4,4-dimethyl-2-oxononan-3-yl)formamide;N-(4-methyl-2-oxonon-3-en-3-yl)formamide
CID 159651494
3,4-dimethyltetradec-3-enoic acid
CID 141356263
(Z)-2,3-dimethyltetradec-2-enoic acid
CID 87282593
2,3-dimethyldec-2-enoic acid
CID 79729162
ethyl 3-benzylsulfanyl-2-formamido-3-methyloctanoate;ethyl (E)-2-formamido-3-methyloct-2-enoate
CID 158738874
acetic acid;2-ethylideneheptanoic acid
CID 161103841
acetic acid;(2Z)-2-ethylideneheptanoic acid
CID 87790702
CID 87086123
CID 87086123
8,9-dimethylhexadec-8-ene
CID 140717938
(2Z)-2-(hydroxymethylidene)heptanoic acid
CID 23213326
2-butan-2-ylideneoctanoic acid
CID 173391437

Frequently Asked Questions

What is the IUPAC name of 2-formamido-3-methyloct-2-enoic acid?
The IUPAC name of 2-formamido-3-methyloct-2-enoic acid (CID 73413520) is 2-formamido-3-methyloct-2-enoic acid.
What is the SMILES notation for 2-formamido-3-methyloct-2-enoic acid?
The canonical SMILES for 2-formamido-3-methyloct-2-enoic acid is CCCCCC(C)=C(NC=O)C(=O)O.
What is the InChIKey of 2-formamido-3-methyloct-2-enoic acid?
The InChIKey is ZRGGYHBSCHZWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-4-5-6-8(2)9(10(13)14)11-7-12/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-formamido-3-methyloct-2-enoic acid?
2-formamido-3-methyloct-2-enoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-3-methyloct-2-enoic acid is sourced from PubChem (CID 73413520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).