(Z)-3-(2-hydroxyethylamino)but-2-enoic acid

C6H11NO3 — CID 19694949

IUPAC(Z)-3-(2-hydroxyethylamino)but-2-enoic acid
SMILESC/C(=C/C(=O)O)NCCO
InChIInChI=1S/C6H11NO3/c1-5(4-6(9)10)7-2-3-8/h4,7-8H,2-3H2,1H3,(H,9,10)/b5-4-
InChIKeyBLXLEMPLIGBZSZ-PLNGDYQASA-N
MW145.16 g/mol
LogP-0.44
Rot. Bonds4

About (Z)-3-(2-hydroxyethylamino)but-2-enoic acid

(Z)-3-(2-hydroxyethylamino)but-2-enoic acid (PubChem CID 19694949) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (Z)-3-(2-hydroxyethylamino)but-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2-hydroxyethylamino)but-2-enoic acid
PubChem CID19694949
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(Z)-3-(2-hydroxyethylamino)but-2-enoic acid
SMILESC/C(=C/C(=O)O)NCCO
InChIInChI=1S/C6H11NO3/c1-5(4-6(9)10)7-2-3-8/h4,7-8H,2-3H2,1H3,(H,9,10)/b5-4-
InChIKeyBLXLEMPLIGBZSZ-PLNGDYQASA-N
XLogP-0.44
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (Z)-3-(2-hydroxyethylamino)but-2-enoic acid?
The IUPAC name of (Z)-3-(2-hydroxyethylamino)but-2-enoic acid (CID 19694949) is (Z)-3-(2-hydroxyethylamino)but-2-enoic acid.
What is the SMILES notation for (Z)-3-(2-hydroxyethylamino)but-2-enoic acid?
The canonical SMILES for (Z)-3-(2-hydroxyethylamino)but-2-enoic acid is C/C(=C/C(=O)O)NCCO.
What is the InChIKey of (Z)-3-(2-hydroxyethylamino)but-2-enoic acid?
The InChIKey is BLXLEMPLIGBZSZ-PLNGDYQASA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(4-6(9)10)7-2-3-8/h4,7-8H,2-3H2,1H3,(H,9,10)/b5-4-.
What are the key properties of (Z)-3-(2-hydroxyethylamino)but-2-enoic acid?
(Z)-3-(2-hydroxyethylamino)but-2-enoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-hydroxyethylamino)but-2-enoic acid is sourced from PubChem (CID 19694949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).