propyl (Z)-3-amino-4-methoxybut-2-enoate

C8H15NO3 — CID 88823275

IUPACpropyl (Z)-3-amino-4-methoxybut-2-enoate
SMILESCCCOC(=O)/C=C(\N)COC
InChIInChI=1S/C8H15NO3/c1-3-4-12-8(10)5-7(9)6-11-2/h5H,3-4,6,9H2,1-2H3/b7-5-
InChIKeyKNAOHXSAGKVGTQ-ALCCZGGFSA-N
MW173.21 g/mol
LogP0.43
Rot. Bonds5

About propyl (Z)-3-amino-4-methoxybut-2-enoate

propyl (Z)-3-amino-4-methoxybut-2-enoate (PubChem CID 88823275) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is propyl (Z)-3-amino-4-methoxybut-2-enoate.

Molecular Properties

Compound Namepropyl (Z)-3-amino-4-methoxybut-2-enoate
PubChem CID88823275
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namepropyl (Z)-3-amino-4-methoxybut-2-enoate
SMILESCCCOC(=O)/C=C(\N)COC
InChIInChI=1S/C8H15NO3/c1-3-4-12-8(10)5-7(9)6-11-2/h5H,3-4,6,9H2,1-2H3/b7-5-
InChIKeyKNAOHXSAGKVGTQ-ALCCZGGFSA-N
XLogP0.43
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-3-amino-4-methoxybut-2-enoate
CID 45122131
2-propoxyethyl (Z)-3-amino-4-carbamoyloxybut-2-enoate
CID 88603524
1-O-methyl 4-O-propyl 2-methylbut-2-enedioate
CID 175490226
(Z)-2-methyl-4-oxo-4-propoxybut-2-enoic acid
CID 87197934
propyl (E)-3-nitrobut-2-enoate
CID 71606784
ethyl (E)-4-acetyloxy-3-aminobut-2-enoate
CID 13374842
dipropyl (Z)-2-iodobut-2-enedioate
CID 5359092
propyl 3-amino-4-fluoro-4-methylhept-2-enoate
CID 139829355
carbamic acid;propyl prop-2-enoate
CID 87571569
ethyl (E)-3-aminohex-2-enoate
CID 10986503
propyl (Z)-3-amino-4-(1,3-dioxoisoindol-2-yl)but-2-enoate
CID 70592110
propyl 3-amino-4-(1,3-dioxoisoindol-2-yl)but-2-enoate
CID 70592111

Frequently Asked Questions

What is the IUPAC name of propyl (Z)-3-amino-4-methoxybut-2-enoate?
The IUPAC name of propyl (Z)-3-amino-4-methoxybut-2-enoate (CID 88823275) is propyl (Z)-3-amino-4-methoxybut-2-enoate.
What is the SMILES notation for propyl (Z)-3-amino-4-methoxybut-2-enoate?
The canonical SMILES for propyl (Z)-3-amino-4-methoxybut-2-enoate is CCCOC(=O)/C=C(\N)COC.
What is the InChIKey of propyl (Z)-3-amino-4-methoxybut-2-enoate?
The InChIKey is KNAOHXSAGKVGTQ-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-4-12-8(10)5-7(9)6-11-2/h5H,3-4,6,9H2,1-2H3/b7-5-.
What are the key properties of propyl (Z)-3-amino-4-methoxybut-2-enoate?
propyl (Z)-3-amino-4-methoxybut-2-enoate has a molecular weight of 173.21 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (Z)-3-amino-4-methoxybut-2-enoate is sourced from PubChem (CID 88823275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).