2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid

C14H21N3O4 — CID 119199076

IUPAC2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)CCCc1nc(C2CC2)no1)C(=O)O
InChIInChI=1S/C14H21N3O4/c1-3-14(2,13(19)20)16-10(18)5-4-6-11-15-12(17-21-11)9-7-8-9/h9H,3-8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyXJXFQLRAOXHILA-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.64
Rot. Bonds8

About 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid

2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid (PubChem CID 119199076) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid
PubChem CID119199076
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)CCCc1nc(C2CC2)no1)C(=O)O
InChIInChI=1S/C14H21N3O4/c1-3-14(2,13(19)20)16-10(18)5-4-6-11-15-12(17-21-11)9-7-8-9/h9H,3-8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyXJXFQLRAOXHILA-UHFFFAOYSA-N
XLogP1.64
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119522706
2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696739
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]propanoic acid
CID 119208889
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]butanamide
CID 99846634
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120546481
N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119528258
2-[cyclopropyl-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
CID 119202492
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346459
3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190122
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2,2-dimethylpropylsulfonyl)propanamide
CID 99812784
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 110004468

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid (CID 119199076) is 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid is CCC(C)(NC(=O)CCCc1nc(C2CC2)no1)C(=O)O.
What is the InChIKey of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid?
The InChIKey is XJXFQLRAOXHILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-14(2,13(19)20)16-10(18)5-4-6-11-15-12(17-21-11)9-7-8-9/h9H,3-8H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid?
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid is sourced from PubChem (CID 119199076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).