11-[carboxymethyl(prop-2-enoyl)amino]undecanoic acid

C16H27NO5 — CID 11857915

IUPAC11-[carboxymethyl(prop-2-enoyl)amino]undecanoic acid
SMILESC=CC(=O)N(CCCCCCCCCCC(=O)O)CC(=O)O
InChIInChI=1S/C16H27NO5/c1-2-14(18)17(13-16(21)22)12-10-8-6-4-3-5-7-9-11-15(19)20/h2H,1,3-13H2,(H,19,20)(H,21,22)
InChIKeyUFKZVDAYLIGQIL-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.68
Rot. Bonds14

About 11-[carboxymethyl(prop-2-enoyl)amino]undecanoic acid

11-[carboxymethyl(prop-2-enoyl)amino]undecanoic acid (PubChem CID 11857915) has the molecular formula C16H27NO5 and a molecular weight of 313.39 g/mol. Its IUPAC name is 11-[carboxymethyl(prop-2-enoyl)amino]undecanoic acid.

Molecular Properties

Compound Name11-[carboxymethyl(prop-2-enoyl)amino]undecanoic acid
PubChem CID11857915
Molecular FormulaC16H27NO5
Molecular Weight313.39 g/mol
Exact Mass313.19
IUPAC Name11-[carboxymethyl(prop-2-enoyl)amino]undecanoic acid
SMILESC=CC(=O)N(CCCCCCCCCCC(=O)O)CC(=O)O
InChIInChI=1S/C16H27NO5/c1-2-14(18)17(13-16(21)22)12-10-8-6-4-3-5-7-9-11-15(19)20/h2H,1,3-13H2,(H,19,20)(H,21,22)
InChIKeyUFKZVDAYLIGQIL-UHFFFAOYSA-N
XLogP2.68
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 11-[carboxymethyl(prop-2-enoyl)amino]undecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid
CID 92656
AM-10
CID 4618600
9-(2,5-dioxopyrrol-1-yl)nonanoic Acid
CID 10729548
10-(2,5-dioxopyrrol-1-yl)decanoic Acid
CID 10801786
12-Maleimido-dodecanoic Acid
CID 15256755
7-[Acryloyl(nonyl)amino]heptanoic acid
CID 71399865
Maleimidoundecanoic acid
CID 18477222
sodium 11-(N-ethylacrylamido)-undecanoate
CID 101692532
Methyl 11-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]undecanoate
CID 59029690
Methyl 16-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]hexadecanoate
CID 59029722
11-[Ethyl(prop-2-enoyl)amino]undecanoic acid
CID 10779353
18-Maleimidooctadecanoic acid
CID 15232944

Frequently Asked Questions

What is the IUPAC name of 11-[carboxymethyl(prop-2-enoyl)amino]undecanoic acid?
The IUPAC name of 11-[carboxymethyl(prop-2-enoyl)amino]undecanoic acid (CID 11857915) is 11-[carboxymethyl(prop-2-enoyl)amino]undecanoic acid.
What is the SMILES notation for 11-[carboxymethyl(prop-2-enoyl)amino]undecanoic acid?
The canonical SMILES for 11-[carboxymethyl(prop-2-enoyl)amino]undecanoic acid is C=CC(=O)N(CCCCCCCCCCC(=O)O)CC(=O)O.
What is the InChIKey of 11-[carboxymethyl(prop-2-enoyl)amino]undecanoic acid?
The InChIKey is UFKZVDAYLIGQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO5/c1-2-14(18)17(13-16(21)22)12-10-8-6-4-3-5-7-9-11-15(19)20/h2H,1,3-13H2,(H,19,20)(H,21,22).
What are the key properties of 11-[carboxymethyl(prop-2-enoyl)amino]undecanoic acid?
11-[carboxymethyl(prop-2-enoyl)amino]undecanoic acid has a molecular weight of 313.39 g/mol, XLogP of 2.68, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[carboxymethyl(prop-2-enoyl)amino]undecanoic acid is sourced from PubChem (CID 11857915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).