(Z)-4-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-methylbut-2-enoic acid

C11H20N2O4 — CID 103262873

IUPAC(Z)-4-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-methylbut-2-enoic acid
SMILESCOCCNC(=O)C(C)NC/C=C(/C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-8(11(15)16)4-5-12-9(2)10(14)13-6-7-17-3/h4,9,12H,5-7H2,1-3H3,(H,13,14)(H,15,16)/b8-4-
InChIKeyPUXHVVDVCXRJIS-YWEYNIOJSA-N
MW244.29 g/mol
LogP-0.24
Rot. Bonds8

About (Z)-4-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-methylbut-2-enoic acid

(Z)-4-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-methylbut-2-enoic acid (PubChem CID 103262873) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (Z)-4-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-methylbut-2-enoic acid
PubChem CID103262873
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(Z)-4-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-methylbut-2-enoic acid
SMILESCOCCNC(=O)C(C)NC/C=C(/C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-8(11(15)16)4-5-12-9(2)10(14)13-6-7-17-3/h4,9,12H,5-7H2,1-3H3,(H,13,14)(H,15,16)/b8-4-
InChIKeyPUXHVVDVCXRJIS-YWEYNIOJSA-N
XLogP-0.24
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-but-2-enyl]amino]-N-(2-methoxyethyl)propanamide
CID 107899218
(Z)-4-(1-methoxybutan-2-ylamino)-2-methylbut-2-enoic acid
CID 103253451
2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide
CID 64913516
N-(2-methoxyethyl)-2-(2-methylbutylamino)propanamide
CID 62694565
N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide
CID 113219588
(Z)-4-(3-ethylpentan-2-ylamino)-2-methylbut-2-enoic acid
CID 103250727
N-(2-methoxyethyl)-2-(nonylamino)propanamide
CID 115574851
2-(3-methylbut-2-enylamino)-N-(3-methylbutyl)propanamide
CID 103520462
2-[(4-hydroxy-2-methylbutyl)amino]-N-(2-methoxyethyl)propanamide
CID 66106825
2-(2,2-dimethylhydrazinyl)-N-(2-methoxyethyl)propanamide
CID 83013633
2-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]-N-(2-methoxyethyl)propanamide
CID 113407032

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-methylbut-2-enoic acid?
The IUPAC name of (Z)-4-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-methylbut-2-enoic acid (CID 103262873) is (Z)-4-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-methylbut-2-enoic acid.
What is the SMILES notation for (Z)-4-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-methylbut-2-enoic acid?
The canonical SMILES for (Z)-4-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-methylbut-2-enoic acid is COCCNC(=O)C(C)NC/C=C(/C)C(=O)O.
What is the InChIKey of (Z)-4-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-methylbut-2-enoic acid?
The InChIKey is PUXHVVDVCXRJIS-YWEYNIOJSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(11(15)16)4-5-12-9(2)10(14)13-6-7-17-3/h4,9,12H,5-7H2,1-3H3,(H,13,14)(H,15,16)/b8-4-.
What are the key properties of (Z)-4-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-methylbut-2-enoic acid?
(Z)-4-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-methylbut-2-enoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-methylbut-2-enoic acid is sourced from PubChem (CID 103262873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).