3-[1,3-oxazol-2-yl(propan-2-yl)amino]butanoic acid

C10H16N2O3 — CID 112710334

IUPAC3-[1,3-oxazol-2-yl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(c1ncco1)C(C)CC(=O)O
InChIInChI=1S/C10H16N2O3/c1-7(2)12(8(3)6-9(13)14)10-11-4-5-15-10/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeySXCHLXCQQNAZPN-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.75
Rot. Bonds5

About 3-[1,3-oxazol-2-yl(propan-2-yl)amino]butanoic acid

3-[1,3-oxazol-2-yl(propan-2-yl)amino]butanoic acid (PubChem CID 112710334) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-[1,3-oxazol-2-yl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-[1,3-oxazol-2-yl(propan-2-yl)amino]butanoic acid
PubChem CID112710334
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-[1,3-oxazol-2-yl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(c1ncco1)C(C)CC(=O)O
InChIInChI=1S/C10H16N2O3/c1-7(2)12(8(3)6-9(13)14)10-11-4-5-15-10/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeySXCHLXCQQNAZPN-UHFFFAOYSA-N
XLogP1.75
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1,3-oxazol-2-yl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 3-[1,3-oxazol-2-yl(propan-2-yl)amino]butanoic acid (CID 112710334) is 3-[1,3-oxazol-2-yl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 3-[1,3-oxazol-2-yl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 3-[1,3-oxazol-2-yl(propan-2-yl)amino]butanoic acid is CC(C)N(c1ncco1)C(C)CC(=O)O.
What is the InChIKey of 3-[1,3-oxazol-2-yl(propan-2-yl)amino]butanoic acid?
The InChIKey is SXCHLXCQQNAZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7(2)12(8(3)6-9(13)14)10-11-4-5-15-10/h4-5,7-8H,6H2,1-3H3,(H,13,14).
What are the key properties of 3-[1,3-oxazol-2-yl(propan-2-yl)amino]butanoic acid?
3-[1,3-oxazol-2-yl(propan-2-yl)amino]butanoic acid has a molecular weight of 212.25 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,3-oxazol-2-yl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 112710334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).