(Z)-4-[hydroxy(methyl)amino]-2-methylbut-2-enoic acid

C6H11NO3 — CID 131276688

IUPAC(Z)-4-[hydroxy(methyl)amino]-2-methylbut-2-enoic acid
SMILESC/C(=C/CN(C)O)C(=O)O
InChIInChI=1S/C6H11NO3/c1-5(6(8)9)3-4-7(2)10/h3,10H,4H2,1-2H3,(H,8,9)/b5-3-
InChIKeyVJEJYGRHGMSHJZ-HYXAFXHYSA-N
MW145.16 g/mol
LogP0.34
Rot. Bonds3

About (Z)-4-[hydroxy(methyl)amino]-2-methylbut-2-enoic acid

(Z)-4-[hydroxy(methyl)amino]-2-methylbut-2-enoic acid (PubChem CID 131276688) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (Z)-4-[hydroxy(methyl)amino]-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[hydroxy(methyl)amino]-2-methylbut-2-enoic acid
PubChem CID131276688
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(Z)-4-[hydroxy(methyl)amino]-2-methylbut-2-enoic acid
SMILESC/C(=C/CN(C)O)C(=O)O
InChIInChI=1S/C6H11NO3/c1-5(6(8)9)3-4-7(2)10/h3,10H,4H2,1-2H3,(H,8,9)/b5-3-
InChIKeyVJEJYGRHGMSHJZ-HYXAFXHYSA-N
XLogP0.34
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[formyl(methyl)amino]-2-methylbut-2-enoic acid
CID 142813747
4-[ethyl(methyl)amino]-2-methylbut-2-enoic acid
CID 77075837
2-methyl-4-[methyl(propyl)amino]but-2-enoic acid
CID 77076306
4-[2-hydroxyethyl(methyl)amino]-2-methylbut-2-enoic acid
CID 77075072
4-[2-(dimethylamino)ethyl-methylamino]-2-methylbut-2-enoic acid
CID 77074049
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-methylbut-2-enoic acid
CID 77074510
4-[bis(prop-2-enyl)amino]-2-methylbut-2-enoic acid
CID 77074022
2-methyl-4-[methyl(2-methylbutyl)amino]but-2-enoic acid
CID 77074395
4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbut-2-enoic acid
CID 77076316
4-[ethyl(propan-2-yl)amino]-2-methylbut-2-enoic acid
CID 77075954
bis(N,N-dimethylmethanamine);2-methylhex-2-enoic acid;hydrochloride
CID 173034398
(Z)-4-[3-(diethylamino)propyl-ethylamino]-2-methylbut-2-enoic acid
CID 102994735

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[hydroxy(methyl)amino]-2-methylbut-2-enoic acid?
The IUPAC name of (Z)-4-[hydroxy(methyl)amino]-2-methylbut-2-enoic acid (CID 131276688) is (Z)-4-[hydroxy(methyl)amino]-2-methylbut-2-enoic acid.
What is the SMILES notation for (Z)-4-[hydroxy(methyl)amino]-2-methylbut-2-enoic acid?
The canonical SMILES for (Z)-4-[hydroxy(methyl)amino]-2-methylbut-2-enoic acid is C/C(=C/CN(C)O)C(=O)O.
What is the InChIKey of (Z)-4-[hydroxy(methyl)amino]-2-methylbut-2-enoic acid?
The InChIKey is VJEJYGRHGMSHJZ-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(6(8)9)3-4-7(2)10/h3,10H,4H2,1-2H3,(H,8,9)/b5-3-.
What are the key properties of (Z)-4-[hydroxy(methyl)amino]-2-methylbut-2-enoic acid?
(Z)-4-[hydroxy(methyl)amino]-2-methylbut-2-enoic acid has a molecular weight of 145.16 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[hydroxy(methyl)amino]-2-methylbut-2-enoic acid is sourced from PubChem (CID 131276688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).