4-[(4-methyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]butanoic acid

C12H18N2O4 — CID 66336296

IUPAC4-[(4-methyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCc1cnoc1C(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C12H18N2O4/c1-8(2)14(6-4-5-10(15)16)12(17)11-9(3)7-13-18-11/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyXHSHIWMJRKIHIG-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.70
Rot. Bonds6

About 4-[(4-methyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]butanoic acid

4-[(4-methyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]butanoic acid (PubChem CID 66336296) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[(4-methyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-methyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]butanoic acid
PubChem CID66336296
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name4-[(4-methyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCc1cnoc1C(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C12H18N2O4/c1-8(2)14(6-4-5-10(15)16)12(17)11-9(3)7-13-18-11/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyXHSHIWMJRKIHIG-UHFFFAOYSA-N
XLogP1.70
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1,5-dimethylpyrazole-4-carbonyl)-propan-2-ylamino]butanoic acid
CID 60827421
4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 66334475
4-[(3,5-dimethylbenzoyl)-propan-2-ylamino]butanoic acid
CID 60830753
3-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 110836444
2-[(4-methyl-1,2-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 66335852
4-[(4-methylbenzoyl)-propan-2-ylamino]butanoic acid
CID 54926186
3-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 66334474
4-[propan-2-yl-(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
CID 60826753
methyl 4-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoate
CID 66335427
4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid
CID 54926932
4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid
CID 54926331
4-[(5-bromopyridine-3-carbonyl)-propan-2-ylamino]butanoic acid
CID 60826579

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(4-methyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]butanoic acid (CID 66336296) is 4-[(4-methyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(4-methyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(4-methyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]butanoic acid is Cc1cnoc1C(=O)N(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[(4-methyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]butanoic acid?
The InChIKey is XHSHIWMJRKIHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-8(2)14(6-4-5-10(15)16)12(17)11-9(3)7-13-18-11/h7-8H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 4-[(4-methyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]butanoic acid?
4-[(4-methyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]butanoic acid has a molecular weight of 254.29 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 66336296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).