(Z,4S)-4-(morpholine-4-carbonyloxy)pent-2-enoic acid

C10H15NO5 — CID 90236898

IUPAC(Z,4S)-4-(morpholine-4-carbonyloxy)pent-2-enoic acid
SMILESC[C@@H](/C=C\C(=O)O)OC(=O)N1CCOCC1
InChIInChI=1S/C10H15NO5/c1-8(2-3-9(12)13)16-10(14)11-4-6-15-7-5-11/h2-3,8H,4-7H2,1H3,(H,12,13)/b3-2-/t8-/m0/s1
InChIKeyDLPRVLPCXWJGJA-KZUAUGPASA-N
MW229.23 g/mol
LogP0.48
Rot. Bonds3

About (Z,4S)-4-(morpholine-4-carbonyloxy)pent-2-enoic acid

(Z,4S)-4-(morpholine-4-carbonyloxy)pent-2-enoic acid (PubChem CID 90236898) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is (Z,4S)-4-(morpholine-4-carbonyloxy)pent-2-enoic acid.

Molecular Properties

Compound Name(Z,4S)-4-(morpholine-4-carbonyloxy)pent-2-enoic acid
PubChem CID90236898
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name(Z,4S)-4-(morpholine-4-carbonyloxy)pent-2-enoic acid
SMILESC[C@@H](/C=C\C(=O)O)OC(=O)N1CCOCC1
InChIInChI=1S/C10H15NO5/c1-8(2-3-9(12)13)16-10(14)11-4-6-15-7-5-11/h2-3,8H,4-7H2,1H3,(H,12,13)/b3-2-/t8-/m0/s1
InChIKeyDLPRVLPCXWJGJA-KZUAUGPASA-N
XLogP0.48
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z,4S)-4-(morpholine-4-carbonyloxy)pent-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z,4S)-4-(morpholine-4-carbonyloxy)pent-2-enoic acid?
The IUPAC name of (Z,4S)-4-(morpholine-4-carbonyloxy)pent-2-enoic acid (CID 90236898) is (Z,4S)-4-(morpholine-4-carbonyloxy)pent-2-enoic acid.
What is the SMILES notation for (Z,4S)-4-(morpholine-4-carbonyloxy)pent-2-enoic acid?
The canonical SMILES for (Z,4S)-4-(morpholine-4-carbonyloxy)pent-2-enoic acid is C[C@@H](/C=C\C(=O)O)OC(=O)N1CCOCC1.
What is the InChIKey of (Z,4S)-4-(morpholine-4-carbonyloxy)pent-2-enoic acid?
The InChIKey is DLPRVLPCXWJGJA-KZUAUGPASA-N. The full InChI is InChI=1S/C10H15NO5/c1-8(2-3-9(12)13)16-10(14)11-4-6-15-7-5-11/h2-3,8H,4-7H2,1H3,(H,12,13)/b3-2-/t8-/m0/s1.
What are the key properties of (Z,4S)-4-(morpholine-4-carbonyloxy)pent-2-enoic acid?
(Z,4S)-4-(morpholine-4-carbonyloxy)pent-2-enoic acid has a molecular weight of 229.23 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S)-4-(morpholine-4-carbonyloxy)pent-2-enoic acid is sourced from PubChem (CID 90236898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).