(Z)-4-(ethoxyamino)-2-methylbut-2-enoic acid

C7H13NO3 — CID 103254484

IUPAC(Z)-4-(ethoxyamino)-2-methylbut-2-enoic acid
SMILESCCONC/C=C(/C)C(=O)O
InChIInChI=1S/C7H13NO3/c1-3-11-8-5-4-6(2)7(9)10/h4,8H,3,5H2,1-2H3,(H,9,10)/b6-4-
InChIKeyLJUIHAXRCPIQLO-XQRVVYSFSA-N
MW159.18 g/mol
LogP0.56
Rot. Bonds5

About (Z)-4-(ethoxyamino)-2-methylbut-2-enoic acid

(Z)-4-(ethoxyamino)-2-methylbut-2-enoic acid (PubChem CID 103254484) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (Z)-4-(ethoxyamino)-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(ethoxyamino)-2-methylbut-2-enoic acid
PubChem CID103254484
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(Z)-4-(ethoxyamino)-2-methylbut-2-enoic acid
SMILESCCONC/C=C(/C)C(=O)O
InChIInChI=1S/C7H13NO3/c1-3-11-8-5-4-6(2)7(9)10/h4,8H,3,5H2,1-2H3,(H,9,10)/b6-4-
InChIKeyLJUIHAXRCPIQLO-XQRVVYSFSA-N
XLogP0.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.56
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

(E)-2-methyl-4-(methylamino)but-2-enoic acid
CID 87093602
(Z)-2-methyl-4-(3-methylbut-2-enylamino)but-2-enoic acid
CID 106190572
(E)-6-ethoxy-2-methylhex-2-enoic acid
CID 87120210
4-(cyclopropylmethylamino)-2-methylbut-2-enoic acid
CID 103231137
CID 158703292
CID 158703292
(Z)-4-(1-methoxybutan-2-ylamino)-2-methylbut-2-enoic acid
CID 103253451
(E)-2-methyl-4-[[(E)-propylideneamino]oxycarbonylamino]but-2-enoic acid
CID 139922514
(Z)-4-(3-ethylpentan-2-ylamino)-2-methylbut-2-enoic acid
CID 103250727
4-[2-(methanesulfonamido)ethylamino]-2-methylbut-2-enoic acid
CID 103238992
(Z)-4-[[3-(dimethylamino)-3-oxopropyl]amino]-2-methylbut-2-enoic acid
CID 103244699
2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid
CID 123853620
(Z)-4-(2-but-3-enoxyethylamino)-2-methylbut-2-enoic acid
CID 106402209

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(ethoxyamino)-2-methylbut-2-enoic acid?
The IUPAC name of (Z)-4-(ethoxyamino)-2-methylbut-2-enoic acid (CID 103254484) is (Z)-4-(ethoxyamino)-2-methylbut-2-enoic acid.
What is the SMILES notation for (Z)-4-(ethoxyamino)-2-methylbut-2-enoic acid?
The canonical SMILES for (Z)-4-(ethoxyamino)-2-methylbut-2-enoic acid is CCONC/C=C(/C)C(=O)O.
What is the InChIKey of (Z)-4-(ethoxyamino)-2-methylbut-2-enoic acid?
The InChIKey is LJUIHAXRCPIQLO-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-11-8-5-4-6(2)7(9)10/h4,8H,3,5H2,1-2H3,(H,9,10)/b6-4-.
What are the key properties of (Z)-4-(ethoxyamino)-2-methylbut-2-enoic acid?
(Z)-4-(ethoxyamino)-2-methylbut-2-enoic acid has a molecular weight of 159.18 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(ethoxyamino)-2-methylbut-2-enoic acid is sourced from PubChem (CID 103254484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).