(Z)-3-(morpholin-4-ylamino)but-2-enoic acid

C8H14N2O3 — CID 70393169

IUPAC(Z)-3-(morpholin-4-ylamino)but-2-enoic acid
SMILESC/C(=C/C(=O)O)NN1CCOCC1
InChIInChI=1S/C8H14N2O3/c1-7(6-8(11)12)9-10-2-4-13-5-3-10/h6,9H,2-5H2,1H3,(H,11,12)/b7-6-
InChIKeyMIWONSVLUJOMSZ-SREVYHEPSA-N
MW186.21 g/mol
LogP-0.19
Rot. Bonds3

About (Z)-3-(morpholin-4-ylamino)but-2-enoic acid

(Z)-3-(morpholin-4-ylamino)but-2-enoic acid (PubChem CID 70393169) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (Z)-3-(morpholin-4-ylamino)but-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(morpholin-4-ylamino)but-2-enoic acid
PubChem CID70393169
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(Z)-3-(morpholin-4-ylamino)but-2-enoic acid
SMILESC/C(=C/C(=O)O)NN1CCOCC1
InChIInChI=1S/C8H14N2O3/c1-7(6-8(11)12)9-10-2-4-13-5-3-10/h6,9H,2-5H2,1H3,(H,11,12)/b7-6-
InChIKeyMIWONSVLUJOMSZ-SREVYHEPSA-N
XLogP-0.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
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 (Z)-3-(morpholin-4-ylamino)but-2-enoic acid?
The IUPAC name of (Z)-3-(morpholin-4-ylamino)but-2-enoic acid (CID 70393169) is (Z)-3-(morpholin-4-ylamino)but-2-enoic acid.
What is the SMILES notation for (Z)-3-(morpholin-4-ylamino)but-2-enoic acid?
The canonical SMILES for (Z)-3-(morpholin-4-ylamino)but-2-enoic acid is C/C(=C/C(=O)O)NN1CCOCC1.
What is the InChIKey of (Z)-3-(morpholin-4-ylamino)but-2-enoic acid?
The InChIKey is MIWONSVLUJOMSZ-SREVYHEPSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-7(6-8(11)12)9-10-2-4-13-5-3-10/h6,9H,2-5H2,1H3,(H,11,12)/b7-6-.
What are the key properties of (Z)-3-(morpholin-4-ylamino)but-2-enoic acid?
(Z)-3-(morpholin-4-ylamino)but-2-enoic acid has a molecular weight of 186.21 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(morpholin-4-ylamino)but-2-enoic acid is sourced from PubChem (CID 70393169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).