3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid

C10H11NO5 — CID 77113675

IUPAC3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid
SMILESO=C(C=Cc1ccco1)NCC(O)C(=O)O
InChIInChI=1S/C10H11NO5/c12-8(10(14)15)6-11-9(13)4-3-7-2-1-5-16-7/h1-5,8,12H,6H2,(H,11,13)(H,14,15)
InChIKeyLGFQRKUPFQLUMP-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.15
Rot. Bonds5

About 3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid

3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid (PubChem CID 77113675) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid
PubChem CID77113675
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid
SMILESO=C(C=Cc1ccco1)NCC(O)C(=O)O
InChIInChI=1S/C10H11NO5/c12-8(10(14)15)6-11-9(13)4-3-7-2-1-5-16-7/h1-5,8,12H,6H2,(H,11,13)(H,14,15)
InChIKeyLGFQRKUPFQLUMP-UHFFFAOYSA-N
XLogP-0.15
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 103769714
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 107832797
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3-(furan-2-yl)prop-2-enamide
CID 171139195
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
(E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide
CID 6382996
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778
(E)-3-(furan-2-yl)-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]prop-2-enamide
CID 97428878
(E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide
CID 75408048
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 104857087
N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
CID 77056421

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid (CID 77113675) is 3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid is O=C(C=Cc1ccco1)NCC(O)C(=O)O.
What is the InChIKey of 3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid?
The InChIKey is LGFQRKUPFQLUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c12-8(10(14)15)6-11-9(13)4-3-7-2-1-5-16-7/h1-5,8,12H,6H2,(H,11,13)(H,14,15).
What are the key properties of 3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid?
3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid has a molecular weight of 225.20 g/mol, XLogP of -0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 77113675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).