(3R)-3-amino-3-[5-(hydroxymethyl)furan-2-yl]butanoic acid

C9H13NO4 — CID 55270430

IUPAC(3R)-3-amino-3-[5-(hydroxymethyl)furan-2-yl]butanoic acid
SMILESC[C@@](N)(CC(=O)O)c1ccc(CO)o1
InChIInChI=1S/C9H13NO4/c1-9(10,4-8(12)13)7-3-2-6(5-11)14-7/h2-3,11H,4-5,10H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyRFZOFNHYSSVEFB-SECBINFHSA-N
MW199.21 g/mol
LogP0.42
Rot. Bonds4

About (3R)-3-amino-3-[5-(hydroxymethyl)furan-2-yl]butanoic acid

(3R)-3-amino-3-[5-(hydroxymethyl)furan-2-yl]butanoic acid (PubChem CID 55270430) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is (3R)-3-amino-3-[5-(hydroxymethyl)furan-2-yl]butanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-[5-(hydroxymethyl)furan-2-yl]butanoic acid
PubChem CID55270430
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name(3R)-3-amino-3-[5-(hydroxymethyl)furan-2-yl]butanoic acid
SMILESC[C@@](N)(CC(=O)O)c1ccc(CO)o1
InChIInChI=1S/C9H13NO4/c1-9(10,4-8(12)13)7-3-2-6(5-11)14-7/h2-3,11H,4-5,10H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyRFZOFNHYSSVEFB-SECBINFHSA-N
XLogP0.42
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-[5-(hydroxymethyl)furan-2-yl]butanoic acid?
The IUPAC name of (3R)-3-amino-3-[5-(hydroxymethyl)furan-2-yl]butanoic acid (CID 55270430) is (3R)-3-amino-3-[5-(hydroxymethyl)furan-2-yl]butanoic acid.
What is the SMILES notation for (3R)-3-amino-3-[5-(hydroxymethyl)furan-2-yl]butanoic acid?
The canonical SMILES for (3R)-3-amino-3-[5-(hydroxymethyl)furan-2-yl]butanoic acid is C[C@@](N)(CC(=O)O)c1ccc(CO)o1.
What is the InChIKey of (3R)-3-amino-3-[5-(hydroxymethyl)furan-2-yl]butanoic acid?
The InChIKey is RFZOFNHYSSVEFB-SECBINFHSA-N. The full InChI is InChI=1S/C9H13NO4/c1-9(10,4-8(12)13)7-3-2-6(5-11)14-7/h2-3,11H,4-5,10H2,1H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (3R)-3-amino-3-[5-(hydroxymethyl)furan-2-yl]butanoic acid?
(3R)-3-amino-3-[5-(hydroxymethyl)furan-2-yl]butanoic acid has a molecular weight of 199.21 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-[5-(hydroxymethyl)furan-2-yl]butanoic acid is sourced from PubChem (CID 55270430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).