(2R)-2-amino-3-[[5-[2-(methoxymethyl)phenyl]furan-2-carbonyl]amino]propanoic acid

C16H18N2O5 — CID 166632590

IUPAC(2R)-2-amino-3-[[5-[2-(methoxymethyl)phenyl]furan-2-carbonyl]amino]propanoic acid
SMILESCOCc1ccccc1-c1ccc(C(=O)NC[C@@H](N)C(=O)O)o1
InChIInChI=1S/C16H18N2O5/c1-22-9-10-4-2-3-5-11(10)13-6-7-14(23-13)15(19)18-8-12(17)16(20)21/h2-7,12H,8-9,17H2,1H3,(H,18,19)(H,20,21)/t12-/m1/s1
InChIKeySTBHODUQHYWLGQ-GFCCVEGCSA-N
MW318.33 g/mol
LogP1.23
Rot. Bonds7

About (2R)-2-amino-3-[[5-[2-(methoxymethyl)phenyl]furan-2-carbonyl]amino]propanoic acid

(2R)-2-amino-3-[[5-[2-(methoxymethyl)phenyl]furan-2-carbonyl]amino]propanoic acid (PubChem CID 166632590) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is (2R)-2-amino-3-[[5-[2-(methoxymethyl)phenyl]furan-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[5-[2-(methoxymethyl)phenyl]furan-2-carbonyl]amino]propanoic acid
PubChem CID166632590
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name(2R)-2-amino-3-[[5-[2-(methoxymethyl)phenyl]furan-2-carbonyl]amino]propanoic acid
SMILESCOCc1ccccc1-c1ccc(C(=O)NC[C@@H](N)C(=O)O)o1
InChIInChI=1S/C16H18N2O5/c1-22-9-10-4-2-3-5-11(10)13-6-7-14(23-13)15(19)18-8-12(17)16(20)21/h2-7,12H,8-9,17H2,1H3,(H,18,19)(H,20,21)/t12-/m1/s1
InChIKeySTBHODUQHYWLGQ-GFCCVEGCSA-N
XLogP1.23
TPSA114.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[5-[2-(methoxymethyl)phenyl]furan-2-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[[5-[2-(methoxymethyl)phenyl]furan-2-carbonyl]amino]propanoic acid (CID 166632590) is (2R)-2-amino-3-[[5-[2-(methoxymethyl)phenyl]furan-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[5-[2-(methoxymethyl)phenyl]furan-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[[5-[2-(methoxymethyl)phenyl]furan-2-carbonyl]amino]propanoic acid is COCc1ccccc1-c1ccc(C(=O)NC[C@@H](N)C(=O)O)o1.
What is the InChIKey of (2R)-2-amino-3-[[5-[2-(methoxymethyl)phenyl]furan-2-carbonyl]amino]propanoic acid?
The InChIKey is STBHODUQHYWLGQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-22-9-10-4-2-3-5-11(10)13-6-7-14(23-13)15(19)18-8-12(17)16(20)21/h2-7,12H,8-9,17H2,1H3,(H,18,19)(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-3-[[5-[2-(methoxymethyl)phenyl]furan-2-carbonyl]amino]propanoic acid?
(2R)-2-amino-3-[[5-[2-(methoxymethyl)phenyl]furan-2-carbonyl]amino]propanoic acid has a molecular weight of 318.33 g/mol, XLogP of 1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[5-[2-(methoxymethyl)phenyl]furan-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 166632590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).