4-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylbut-2-enoic acid

C10H19NO3 — CID 103264516

IUPAC4-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylbut-2-enoic acid
SMILESCOCC(C)(C)NCC(C)=CC(=O)O
InChIInChI=1S/C10H19NO3/c1-8(5-9(12)13)6-11-10(2,3)7-14-4/h5,11H,6-7H2,1-4H3,(H,12,13)
InChIKeyRLQSHPKELSCXDF-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.03
Rot. Bonds6

About 4-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylbut-2-enoic acid

4-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylbut-2-enoic acid (PubChem CID 103264516) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylbut-2-enoic acid.

Molecular Properties

Compound Name4-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylbut-2-enoic acid
PubChem CID103264516
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylbut-2-enoic acid
SMILESCOCC(C)(C)NCC(C)=CC(=O)O
InChIInChI=1S/C10H19NO3/c1-8(5-9(12)13)6-11-10(2,3)7-14-4/h5,11H,6-7H2,1-4H3,(H,12,13)
InChIKeyRLQSHPKELSCXDF-UHFFFAOYSA-N
XLogP1.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(tert-butylamino)-3-methylbut-2-enoic acid
CID 103235172
4-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbut-2-enoic acid
CID 103267776
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-methylbut-2-enoic acid
CID 107853982
3-methyl-4-[(2-methylpropan-2-yl)oxyamino]but-2-enoic acid
CID 103261394
4-[(3-methoxy-2-methylpropyl)amino]-3-methylbut-2-enoic acid
CID 103245604
3-methyl-4-(2,2,2-trifluoroethoxyamino)but-2-enoic acid
CID 103261634
4-[(3-hydroxy-4-methoxybutyl)amino]-3-methylbut-2-enoic acid
CID 106248300
3-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]but-2-enoic acid
CID 103251702
(E)-4-(2-methoxyethoxy)-3-methylbut-2-enoic acid
CID 63775244
2-[(1-methoxy-2-methylpropan-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 115609553
(E)-4-[2-(2-methoxyethyl)anilino]-3-methylbut-2-enoic acid
CID 103268799
N-cyclohexyl-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide
CID 115747911

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylbut-2-enoic acid?
The IUPAC name of 4-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylbut-2-enoic acid (CID 103264516) is 4-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylbut-2-enoic acid.
What is the SMILES notation for 4-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylbut-2-enoic acid?
The canonical SMILES for 4-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylbut-2-enoic acid is COCC(C)(C)NCC(C)=CC(=O)O.
What is the InChIKey of 4-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylbut-2-enoic acid?
The InChIKey is RLQSHPKELSCXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(5-9(12)13)6-11-10(2,3)7-14-4/h5,11H,6-7H2,1-4H3,(H,12,13).
What are the key properties of 4-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylbut-2-enoic acid?
4-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylbut-2-enoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylbut-2-enoic acid is sourced from PubChem (CID 103264516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).