(2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid

C10H11NO5 — CID 165357082

IUPAC(2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid
SMILESN[C@@H](COC(=O)C=Cc1ccco1)C(=O)O
InChIInChI=1S/C10H11NO5/c11-8(10(13)14)6-16-9(12)4-3-7-2-1-5-15-7/h1-5,8H,6,11H2,(H,13,14)/t8-/m0/s1
InChIKeyGEXXLBBLEGQESD-QMMMGPOBSA-N
MW225.20 g/mol
LogP0.25
Rot. Bonds5

About (2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid

(2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid (PubChem CID 165357082) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is (2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid
PubChem CID165357082
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name(2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid
SMILESN[C@@H](COC(=O)C=Cc1ccco1)C(=O)O
InChIInChI=1S/C10H11NO5/c11-8(10(13)14)6-16-9(12)4-3-7-2-1-5-15-7/h1-5,8H,6,11H2,(H,13,14)/t8-/m0/s1
InChIKeyGEXXLBBLEGQESD-QMMMGPOBSA-N
XLogP0.25
TPSA102.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070
3-methylbutyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 56972286
2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate;3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate
CID 70001163
butyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 102254544
[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 4541807
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
[(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7860502
2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate
CID 797064
[4-[2,2-bis(4-aminophenyl)ethyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 118554212
(1,3-dioxo-1,3-diphenylpropan-2-yl) (Z)-3-(furan-2-yl)prop-2-enoate
CID 2423576
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 16595378
3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl-dimethylazanium chloride
CID 44655635

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid (CID 165357082) is (2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid is N[C@@H](COC(=O)C=Cc1ccco1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid?
The InChIKey is GEXXLBBLEGQESD-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11NO5/c11-8(10(13)14)6-16-9(12)4-3-7-2-1-5-15-7/h1-5,8H,6,11H2,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid?
(2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid has a molecular weight of 225.20 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid is sourced from PubChem (CID 165357082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).