(2R)-2-amino-3-(4-butyl-3-oxo-1,2-oxazol-5-yl)propanoic acid

C10H16N2O4 — CID 10036720

IUPAC(2R)-2-amino-3-(4-butyl-3-oxo-1,2-oxazol-5-yl)propanoic acid
SMILESCCCCc1c(C[C@@H](N)C(=O)O)o[nH]c1=O
InChIInChI=1S/C10H16N2O4/c1-2-3-4-6-8(16-12-9(6)13)5-7(11)10(14)15/h7H,2-5,11H2,1H3,(H,12,13)(H,14,15)/t7-/m1/s1
InChIKeyLQDSYQNNYIFHKU-SSDOTTSWSA-N
MW228.25 g/mol
LogP0.26
Rot. Bonds6

About (2R)-2-amino-3-(4-butyl-3-oxo-1,2-oxazol-5-yl)propanoic acid

(2R)-2-amino-3-(4-butyl-3-oxo-1,2-oxazol-5-yl)propanoic acid (PubChem CID 10036720) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-butyl-3-oxo-1,2-oxazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-butyl-3-oxo-1,2-oxazol-5-yl)propanoic acid
PubChem CID10036720
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name(2R)-2-amino-3-(4-butyl-3-oxo-1,2-oxazol-5-yl)propanoic acid
SMILESCCCCc1c(C[C@@H](N)C(=O)O)o[nH]c1=O
InChIInChI=1S/C10H16N2O4/c1-2-3-4-6-8(16-12-9(6)13)5-7(11)10(14)15/h7H,2-5,11H2,1H3,(H,12,13)(H,14,15)/t7-/m1/s1
InChIKeyLQDSYQNNYIFHKU-SSDOTTSWSA-N
XLogP0.26
TPSA109.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-butyl-3-oxo-1,2-oxazol-5-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(4-butyl-3-oxo-1,2-oxazol-5-yl)propanoic acid (CID 10036720) is (2R)-2-amino-3-(4-butyl-3-oxo-1,2-oxazol-5-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(4-butyl-3-oxo-1,2-oxazol-5-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(4-butyl-3-oxo-1,2-oxazol-5-yl)propanoic acid is CCCCc1c(C[C@@H](N)C(=O)O)o[nH]c1=O.
What is the InChIKey of (2R)-2-amino-3-(4-butyl-3-oxo-1,2-oxazol-5-yl)propanoic acid?
The InChIKey is LQDSYQNNYIFHKU-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-2-3-4-6-8(16-12-9(6)13)5-7(11)10(14)15/h7H,2-5,11H2,1H3,(H,12,13)(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-butyl-3-oxo-1,2-oxazol-5-yl)propanoic acid?
(2R)-2-amino-3-(4-butyl-3-oxo-1,2-oxazol-5-yl)propanoic acid has a molecular weight of 228.25 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-butyl-3-oxo-1,2-oxazol-5-yl)propanoic acid is sourced from PubChem (CID 10036720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).