(Z)-4-[[3-(dimethylamino)-3-oxopropyl]amino]-2-methylbut-2-enoic acid

C10H18N2O3 — CID 103244699

IUPAC(Z)-4-[[3-(dimethylamino)-3-oxopropyl]amino]-2-methylbut-2-enoic acid
SMILESC/C(=C/CNCCC(=O)N(C)C)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-8(10(14)15)4-6-11-7-5-9(13)12(2)3/h4,11H,5-7H2,1-3H3,(H,14,15)/b8-4-
InChIKeyQUIRWYXYEPJDOJ-YWEYNIOJSA-N
MW214.26 g/mol
LogP0.09
Rot. Bonds6

About (Z)-4-[[3-(dimethylamino)-3-oxopropyl]amino]-2-methylbut-2-enoic acid

(Z)-4-[[3-(dimethylamino)-3-oxopropyl]amino]-2-methylbut-2-enoic acid (PubChem CID 103244699) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (Z)-4-[[3-(dimethylamino)-3-oxopropyl]amino]-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[[3-(dimethylamino)-3-oxopropyl]amino]-2-methylbut-2-enoic acid
PubChem CID103244699
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(Z)-4-[[3-(dimethylamino)-3-oxopropyl]amino]-2-methylbut-2-enoic acid
SMILESC/C(=C/CNCCC(=O)N(C)C)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-8(10(14)15)4-6-11-7-5-9(13)12(2)3/h4,11H,5-7H2,1-3H3,(H,14,15)/b8-4-
InChIKeyQUIRWYXYEPJDOJ-YWEYNIOJSA-N
XLogP0.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.09
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'}

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Related Compounds

(Z)-2-methyl-4-(3-methylbut-2-enylamino)but-2-enoic acid
CID 106190572
(Z)-2-methyl-4-[[3-(2-methylpropylamino)-3-oxopropyl]amino]but-2-enoic acid
CID 103263353
4-(5-hydroxypentylamino)-2-methylbut-2-enoic acid
CID 107318225
2-methyl-4-(3,3,3-trifluoropropylamino)but-2-enoic acid
CID 103250321
3-[[(E)-4-chlorobut-2-enyl]amino]-N,N-dimethylpropanamide
CID 81431155
4-[2-(methanesulfonamido)ethylamino]-2-methylbut-2-enoic acid
CID 103238992
3-(ethylamino)-N,N-dimethylpropanamide
CID 60926487
(E)-2-methyl-4-(methylamino)but-2-enoic acid
CID 87093602
(Z)-4-[3-[benzyl(methyl)amino]propylamino]-2-methylbut-2-enoic acid
CID 103233458
3-(2-aminoethylamino)-N,N-dimethylpropanamide
CID 62141656
4-(cyclopropylmethylamino)-2-methylbut-2-enoic acid
CID 103231137
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-methylbut-2-enoic acid
CID 77074510

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[[3-(dimethylamino)-3-oxopropyl]amino]-2-methylbut-2-enoic acid?
The IUPAC name of (Z)-4-[[3-(dimethylamino)-3-oxopropyl]amino]-2-methylbut-2-enoic acid (CID 103244699) is (Z)-4-[[3-(dimethylamino)-3-oxopropyl]amino]-2-methylbut-2-enoic acid.
What is the SMILES notation for (Z)-4-[[3-(dimethylamino)-3-oxopropyl]amino]-2-methylbut-2-enoic acid?
The canonical SMILES for (Z)-4-[[3-(dimethylamino)-3-oxopropyl]amino]-2-methylbut-2-enoic acid is C/C(=C/CNCCC(=O)N(C)C)C(=O)O.
What is the InChIKey of (Z)-4-[[3-(dimethylamino)-3-oxopropyl]amino]-2-methylbut-2-enoic acid?
The InChIKey is QUIRWYXYEPJDOJ-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-8(10(14)15)4-6-11-7-5-9(13)12(2)3/h4,11H,5-7H2,1-3H3,(H,14,15)/b8-4-.
What are the key properties of (Z)-4-[[3-(dimethylamino)-3-oxopropyl]amino]-2-methylbut-2-enoic acid?
(Z)-4-[[3-(dimethylamino)-3-oxopropyl]amino]-2-methylbut-2-enoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[[3-(dimethylamino)-3-oxopropyl]amino]-2-methylbut-2-enoic acid is sourced from PubChem (CID 103244699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).