11-[[(Z)-3-carboxyprop-2-enoyl]amino]undecanoic acid

C15H25NO5 — CID 10851695

IUPAC11-[[(Z)-3-carboxyprop-2-enoyl]amino]undecanoic acid
SMILESO=C(O)/C=C\C(=O)NCCCCCCCCCCC(=O)O
InChIInChI=1S/C15H25NO5/c17-13(10-11-15(20)21)16-12-8-6-4-2-1-3-5-7-9-14(18)19/h10-11H,1-9,12H2,(H,16,17)(H,18,19)(H,20,21)/b11-10-
InChIKeyRSFCDQINXWHUEN-KHPPLWFESA-N
MW299.37 g/mol
LogP2.34
Rot. Bonds13

About 11-[[(Z)-3-carboxyprop-2-enoyl]amino]undecanoic acid

11-[[(Z)-3-carboxyprop-2-enoyl]amino]undecanoic acid (PubChem CID 10851695) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 11-[[(Z)-3-carboxyprop-2-enoyl]amino]undecanoic acid.

Molecular Properties

Compound Name11-[[(Z)-3-carboxyprop-2-enoyl]amino]undecanoic acid
PubChem CID10851695
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name11-[[(Z)-3-carboxyprop-2-enoyl]amino]undecanoic acid
SMILESO=C(O)/C=C\C(=O)NCCCCCCCCCCC(=O)O
InChIInChI=1S/C15H25NO5/c17-13(10-11-15(20)21)16-12-8-6-4-2-1-3-5-7-9-14(18)19/h10-11H,1-9,12H2,(H,16,17)(H,18,19)(H,20,21)/b11-10-
InChIKeyRSFCDQINXWHUEN-KHPPLWFESA-N
XLogP2.34
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.34
H-Bond Donors ≤ 53
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-[[(Z)-3-carboxyprop-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

11-(Acryloylamino)undecanoic acid
CID 235171
(Z)-6-(3-Carboxyacrylamido)hexanoic acid
CID 5384149
12-Acrylamido dodecanoic acid
CID 20026787
7-(Prop-2-enoylamino)heptanoic acid
CID 24699045
N-[4-(-Carboxycyclohexylmethyl)]maleamidic Acid
CID 24786937
6-Methylacrylamidohexanoic acid
CID 54131804
Sodium 11-(acryloylamino)undecanoate
CID 57355818
4-Oxo-4-((2-((2-((1-oxooctadecyl)amino)ethyl)amino)ethyl)amino)isocrotonic acid
CID 6433029
N-(5-Carboxypentyl)maleamic acid
CID 329056
Cyclohexanecarboxylic acid, 4-[[[(2Z)-3-carboxy-1-oxo-2-propen-1-yl]amino]methyl]-, trans-
CID 2055304
6-Maleamidocaproic acid; N-(5-Carboxy-n-pentyl)maleamic acid
CID 5912867
4-[(3-Carboxyprop-2-enoylamino)methyl]cyclohexane-1-carboxylic acid
CID 6612336

Frequently Asked Questions

What is the IUPAC name of 11-[[(Z)-3-carboxyprop-2-enoyl]amino]undecanoic acid?
The IUPAC name of 11-[[(Z)-3-carboxyprop-2-enoyl]amino]undecanoic acid (CID 10851695) is 11-[[(Z)-3-carboxyprop-2-enoyl]amino]undecanoic acid.
What is the SMILES notation for 11-[[(Z)-3-carboxyprop-2-enoyl]amino]undecanoic acid?
The canonical SMILES for 11-[[(Z)-3-carboxyprop-2-enoyl]amino]undecanoic acid is O=C(O)/C=C\C(=O)NCCCCCCCCCCC(=O)O.
What is the InChIKey of 11-[[(Z)-3-carboxyprop-2-enoyl]amino]undecanoic acid?
The InChIKey is RSFCDQINXWHUEN-KHPPLWFESA-N. The full InChI is InChI=1S/C15H25NO5/c17-13(10-11-15(20)21)16-12-8-6-4-2-1-3-5-7-9-14(18)19/h10-11H,1-9,12H2,(H,16,17)(H,18,19)(H,20,21)/b11-10-.
What are the key properties of 11-[[(Z)-3-carboxyprop-2-enoyl]amino]undecanoic acid?
11-[[(Z)-3-carboxyprop-2-enoyl]amino]undecanoic acid has a molecular weight of 299.37 g/mol, XLogP of 2.34, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[[(Z)-3-carboxyprop-2-enoyl]amino]undecanoic acid is sourced from PubChem (CID 10851695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).