3-[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]butanoic acid

C12H18N2O4 — CID 110835099

IUPAC3-[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ncc(C(C)(C)C)o1
InChIInChI=1S/C12H18N2O4/c1-7(5-9(15)16)14-10(17)11-13-6-8(18-11)12(2,3)4/h6-7H,5H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyMQGRELIZBFMWJI-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.57
Rot. Bonds4

About 3-[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]butanoic acid

3-[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]butanoic acid (PubChem CID 110835099) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]butanoic acid
PubChem CID110835099
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ncc(C(C)(C)C)o1
InChIInChI=1S/C12H18N2O4/c1-7(5-9(15)16)14-10(17)11-13-6-8(18-11)12(2,3)4/h6-7H,5H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyMQGRELIZBFMWJI-UHFFFAOYSA-N
XLogP1.57
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]-3-methylbutanoic acid
CID 110835089
3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid
CID 122107646
3-[(4-tert-butylbenzoyl)amino]butanoic acid
CID 18370033
5-tert-butyl-1,3-oxazole-2-carboxamide
CID 69412800
2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 43465803
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 61161578
3-[[2-(5-methyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid
CID 110836115
3-[(4-iodobenzoyl)amino]butanoic acid
CID 43240598
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
3-(2,3,3-trimethylbutanoylamino)butanoic acid
CID 119347954
(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid
CID 104876270
3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]butanoic acid
CID 119347873

Frequently Asked Questions

What is the IUPAC name of 3-[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]butanoic acid (CID 110835099) is 3-[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)c1ncc(C(C)(C)C)o1.
What is the InChIKey of 3-[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]butanoic acid?
The InChIKey is MQGRELIZBFMWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-7(5-9(15)16)14-10(17)11-13-6-8(18-11)12(2,3)4/h6-7H,5H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 3-[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]butanoic acid?
3-[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]butanoic acid has a molecular weight of 254.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 110835099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).