4-[methyl(undec-10-enoyl)amino]butanoic acid

C16H29NO3 — CID 10016696

IUPAC4-[methyl(undec-10-enoyl)amino]butanoic acid
SMILESC=CCCCCCCCCC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C16H29NO3/c1-3-4-5-6-7-8-9-10-12-15(18)17(2)14-11-13-16(19)20/h3H,1,4-14H2,2H3,(H,19,20)
InChIKeyRMUVEHGLNSYQAG-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.62
Rot. Bonds13

About 4-[methyl(undec-10-enoyl)amino]butanoic acid

4-[methyl(undec-10-enoyl)amino]butanoic acid (PubChem CID 10016696) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-[methyl(undec-10-enoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(undec-10-enoyl)amino]butanoic acid
PubChem CID10016696
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name4-[methyl(undec-10-enoyl)amino]butanoic acid
SMILESC=CCCCCCCCCC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C16H29NO3/c1-3-4-5-6-7-8-9-10-12-15(18)17(2)14-11-13-16(19)20/h3H,1,4-14H2,2H3,(H,19,20)
InChIKeyRMUVEHGLNSYQAG-UHFFFAOYSA-N
XLogP3.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tritriacont-32-enoic acid
CID 54063641
octadec-17-enoic acid
CID 5312444
nonadec-18-enoic acid
CID 543857
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
4-[heptanoyl(methyl)amino]butanoic acid
CID 43172442
2-hydroxyethyl-dimethyl-[2-[methyl(oct-7-enoyl)amino]ethyl]azanium
CID 101277775
4-[6-aminohexanoyl(methyl)amino]butanoic acid
CID 61160590
alumane;undec-10-enoic acid;hydrochloride
CID 175378056
10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074
6-[butyl(methyl)amino]-6-oxohexanoic acid
CID 43447178
dec-1-ene;dec-9-enoic acid
CID 87497067
8-[ethyl(methyl)amino]-8-oxooctanoic acid
CID 175615328

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(undec-10-enoyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(undec-10-enoyl)amino]butanoic acid (CID 10016696) is 4-[methyl(undec-10-enoyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(undec-10-enoyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(undec-10-enoyl)amino]butanoic acid is C=CCCCCCCCCC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl(undec-10-enoyl)amino]butanoic acid?
The InChIKey is RMUVEHGLNSYQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-4-5-6-7-8-9-10-12-15(18)17(2)14-11-13-16(19)20/h3H,1,4-14H2,2H3,(H,19,20).
What are the key properties of 4-[methyl(undec-10-enoyl)amino]butanoic acid?
4-[methyl(undec-10-enoyl)amino]butanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.62, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(undec-10-enoyl)amino]butanoic acid is sourced from PubChem (CID 10016696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).