2-amino-2-methylpropan-1-ol;(Z)-but-2-enedioic acid

C8H15NO5 — CID 162307292

IUPAC2-amino-2-methylpropan-1-ol;(Z)-but-2-enedioic acid
SMILESCC(C)(N)CO.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H11NO.C4H4O4/c1-4(2,5)3-6;5-3(6)1-2-4(7)8/h6H,3,5H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyYSJCCGZGGQONST-BTJKTKAUSA-N
MW205.21 g/mol
LogP-0.57
Rot. Bonds3

About 2-amino-2-methylpropan-1-ol;(Z)-but-2-enedioic acid

2-amino-2-methylpropan-1-ol;(Z)-but-2-enedioic acid (PubChem CID 162307292) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-amino-2-methylpropan-1-ol;(Z)-but-2-enedioic acid.

Molecular Properties

Compound Name2-amino-2-methylpropan-1-ol;(Z)-but-2-enedioic acid
PubChem CID162307292
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-amino-2-methylpropan-1-ol;(Z)-but-2-enedioic acid
SMILESCC(C)(N)CO.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H11NO.C4H4O4/c1-4(2,5)3-6;5-3(6)1-2-4(7)8/h6H,3,5H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyYSJCCGZGGQONST-BTJKTKAUSA-N
XLogP-0.57
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpropan-1-ol;(Z)-but-2-enedioic acid?
The IUPAC name of 2-amino-2-methylpropan-1-ol;(Z)-but-2-enedioic acid (CID 162307292) is 2-amino-2-methylpropan-1-ol;(Z)-but-2-enedioic acid.
What is the SMILES notation for 2-amino-2-methylpropan-1-ol;(Z)-but-2-enedioic acid?
The canonical SMILES for 2-amino-2-methylpropan-1-ol;(Z)-but-2-enedioic acid is CC(C)(N)CO.O=C(O)/C=C\C(=O)O.
What is the InChIKey of 2-amino-2-methylpropan-1-ol;(Z)-but-2-enedioic acid?
The InChIKey is YSJCCGZGGQONST-BTJKTKAUSA-N. The full InChI is InChI=1S/C4H11NO.C4H4O4/c1-4(2,5)3-6;5-3(6)1-2-4(7)8/h6H,3,5H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of 2-amino-2-methylpropan-1-ol;(Z)-but-2-enedioic acid?
2-amino-2-methylpropan-1-ol;(Z)-but-2-enedioic acid has a molecular weight of 205.21 g/mol, XLogP of -0.57, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpropan-1-ol;(Z)-but-2-enedioic acid is sourced from PubChem (CID 162307292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).