4-hydroxy-3-(prop-2-enoxycarbonylamino)butanoic acid

C8H13NO5 — CID 18623706

IUPAC4-hydroxy-3-(prop-2-enoxycarbonylamino)butanoic acid
SMILESC=CCOC(=O)NC(CO)CC(=O)O
InChIInChI=1S/C8H13NO5/c1-2-3-14-8(13)9-6(5-10)4-7(11)12/h2,6,10H,1,3-5H2,(H,9,13)(H,11,12)
InChIKeyFMLAOJHGUHEQLT-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.27
Rot. Bonds6

About 4-hydroxy-3-(prop-2-enoxycarbonylamino)butanoic acid

4-hydroxy-3-(prop-2-enoxycarbonylamino)butanoic acid (PubChem CID 18623706) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 4-hydroxy-3-(prop-2-enoxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name4-hydroxy-3-(prop-2-enoxycarbonylamino)butanoic acid
PubChem CID18623706
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name4-hydroxy-3-(prop-2-enoxycarbonylamino)butanoic acid
SMILESC=CCOC(=O)NC(CO)CC(=O)O
InChIInChI=1S/C8H13NO5/c1-2-3-14-8(13)9-6(5-10)4-7(11)12/h2,6,10H,1,3-5H2,(H,9,13)(H,11,12)
InChIKeyFMLAOJHGUHEQLT-UHFFFAOYSA-N
XLogP-0.27
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(prop-2-enoxycarbonylamino)butanoic acid?
The IUPAC name of 4-hydroxy-3-(prop-2-enoxycarbonylamino)butanoic acid (CID 18623706) is 4-hydroxy-3-(prop-2-enoxycarbonylamino)butanoic acid.
What is the SMILES notation for 4-hydroxy-3-(prop-2-enoxycarbonylamino)butanoic acid?
The canonical SMILES for 4-hydroxy-3-(prop-2-enoxycarbonylamino)butanoic acid is C=CCOC(=O)NC(CO)CC(=O)O.
What is the InChIKey of 4-hydroxy-3-(prop-2-enoxycarbonylamino)butanoic acid?
The InChIKey is FMLAOJHGUHEQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-2-3-14-8(13)9-6(5-10)4-7(11)12/h2,6,10H,1,3-5H2,(H,9,13)(H,11,12).
What are the key properties of 4-hydroxy-3-(prop-2-enoxycarbonylamino)butanoic acid?
4-hydroxy-3-(prop-2-enoxycarbonylamino)butanoic acid has a molecular weight of 203.19 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(prop-2-enoxycarbonylamino)butanoic acid is sourced from PubChem (CID 18623706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).