(Z)-3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid

C10H14N2O3 — CID 103243710

IUPAC(Z)-3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid
SMILESC/C(=C/C(=O)O)CNCc1cc(C)on1
InChIInChI=1S/C10H14N2O3/c1-7(3-10(13)14)5-11-6-9-4-8(2)15-12-9/h3-4,11H,5-6H2,1-2H3,(H,13,14)/b7-3-
InChIKeyBBPIPXGSLJVFBS-CLTKARDFSA-N
MW210.23 g/mol
LogP1.10
Rot. Bonds5

About (Z)-3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid

(Z)-3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid (PubChem CID 103243710) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is (Z)-3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid
PubChem CID103243710
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name(Z)-3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid
SMILESC/C(=C/C(=O)O)CNCc1cc(C)on1
InChIInChI=1S/C10H14N2O3/c1-7(3-10(13)14)5-11-6-9-4-8(2)15-12-9/h3-4,11H,5-6H2,1-2H3,(H,13,14)/b7-3-
InChIKeyBBPIPXGSLJVFBS-CLTKARDFSA-N
XLogP1.10
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic 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

(Z)-3-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine
CID 106437650
(E)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid
CID 103243708
N,N-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]acetamide
CID 60698204
N-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]acetamide
CID 60695514
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103243727
(Z)-2,3-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]-4-oxobut-2-enoic acid
CID 55168124
1-[(5-methyl-1,2-oxazol-3-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81166855
methyl (E)-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]prop-2-enoate
CID 103243724
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid
CID 104608825
3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
CID 81106816
2-[4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenyl]propanoic acid
CID 103243740
4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide
CID 47124661

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid?
The IUPAC name of (Z)-3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid (CID 103243710) is (Z)-3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid.
What is the SMILES notation for (Z)-3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid?
The canonical SMILES for (Z)-3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid is C/C(=C/C(=O)O)CNCc1cc(C)on1.
What is the InChIKey of (Z)-3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid?
The InChIKey is BBPIPXGSLJVFBS-CLTKARDFSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(3-10(13)14)5-11-6-9-4-8(2)15-12-9/h3-4,11H,5-6H2,1-2H3,(H,13,14)/b7-3-.
What are the key properties of (Z)-3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid?
(Z)-3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid is sourced from PubChem (CID 103243710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).