(Z)-2-methyl-4-(2-methylpropoxyamino)but-2-enoic acid

C9H17NO3 — CID 103261559

IUPAC(Z)-2-methyl-4-(2-methylpropoxyamino)but-2-enoic acid
SMILESC/C(=C/CNOCC(C)C)C(=O)O
InChIInChI=1S/C9H17NO3/c1-7(2)6-13-10-5-4-8(3)9(11)12/h4,7,10H,5-6H2,1-3H3,(H,11,12)/b8-4-
InChIKeyUKCNLBJRLVZWPS-YWEYNIOJSA-N
MW187.24 g/mol
LogP1.19
Rot. Bonds6

About (Z)-2-methyl-4-(2-methylpropoxyamino)but-2-enoic acid

(Z)-2-methyl-4-(2-methylpropoxyamino)but-2-enoic acid (PubChem CID 103261559) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (Z)-2-methyl-4-(2-methylpropoxyamino)but-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-methyl-4-(2-methylpropoxyamino)but-2-enoic acid
PubChem CID103261559
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(Z)-2-methyl-4-(2-methylpropoxyamino)but-2-enoic acid
SMILESC/C(=C/CNOCC(C)C)C(=O)O
InChIInChI=1S/C9H17NO3/c1-7(2)6-13-10-5-4-8(3)9(11)12/h4,7,10H,5-6H2,1-3H3,(H,11,12)/b8-4-
InChIKeyUKCNLBJRLVZWPS-YWEYNIOJSA-N
XLogP1.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.19
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Amino-2-methylbut-2-enoic acid
CID 10103145
CID 54336498
CID 54336498
2-Methyl-4-(2,2,2-trifluoroethoxyamino)but-2-enoic acid
CID 103261616
(E)-4-amino-2-methylbut-2-enoic acid;propane
CID 143024116
(Z)-4-(butylaminooxy)-2-methyl-4-oxobut-2-enoic acid
CID 173621941
(Z)-4-(methoxyamino)-2-methylbut-2-enoic acid
CID 103254295
4-(Methoxyamino)-3-methylbut-2-enoic acid
CID 103254309
(Z)-4-(ethoxyamino)-2-methylbut-2-enoic acid
CID 103254484
(E)-4-(ethoxyamino)but-2-enoic acid
CID 103254497
4-(Ethoxyamino)-3-methylbut-2-enoic acid
CID 103254499
(Z)-4-(ethoxyamino)-2-ethylbut-2-enoic acid
CID 103254509
2-Methyl-4-[(2-methylpropan-2-yl)oxyamino]but-2-enoic acid
CID 103261378

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-4-(2-methylpropoxyamino)but-2-enoic acid?
The IUPAC name of (Z)-2-methyl-4-(2-methylpropoxyamino)but-2-enoic acid (CID 103261559) is (Z)-2-methyl-4-(2-methylpropoxyamino)but-2-enoic acid.
What is the SMILES notation for (Z)-2-methyl-4-(2-methylpropoxyamino)but-2-enoic acid?
The canonical SMILES for (Z)-2-methyl-4-(2-methylpropoxyamino)but-2-enoic acid is C/C(=C/CNOCC(C)C)C(=O)O.
What is the InChIKey of (Z)-2-methyl-4-(2-methylpropoxyamino)but-2-enoic acid?
The InChIKey is UKCNLBJRLVZWPS-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(2)6-13-10-5-4-8(3)9(11)12/h4,7,10H,5-6H2,1-3H3,(H,11,12)/b8-4-.
What are the key properties of (Z)-2-methyl-4-(2-methylpropoxyamino)but-2-enoic acid?
(Z)-2-methyl-4-(2-methylpropoxyamino)but-2-enoic acid has a molecular weight of 187.24 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-4-(2-methylpropoxyamino)but-2-enoic acid is sourced from PubChem (CID 103261559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).