(2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid

C15H25N3O4 — CID 119364174

IUPAC(2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid
SMILESCCCc1noc(CCCC(=O)N[C@H](CC(C)C)C(=O)O)n1
InChIInChI=1S/C15H25N3O4/c1-4-6-12-17-14(22-18-12)8-5-7-13(19)16-11(15(20)21)9-10(2)3/h10-11H,4-9H2,1-3H3,(H,16,19)(H,20,21)/t11-/m1/s1
InChIKeyZVVGRIQUDFBKDJ-LLVKDONJSA-N
MW311.38 g/mol
LogP1.96
Rot. Bonds10

About (2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid

(2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid (PubChem CID 119364174) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid
PubChem CID119364174
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name(2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid
SMILESCCCc1noc(CCCC(=O)N[C@H](CC(C)C)C(=O)O)n1
InChIInChI=1S/C15H25N3O4/c1-4-6-12-17-14(22-18-12)8-5-7-13(19)16-11(15(20)21)9-10(2)3/h10-11H,4-9H2,1-3H3,(H,16,19)(H,20,21)/t11-/m1/s1
InChIKeyZVVGRIQUDFBKDJ-LLVKDONJSA-N
XLogP1.96
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
CID 119223527
(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid
CID 119238057
N-(1-amino-4-methylpentan-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119588243
2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 43469214
(2R)-3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 80750774
3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 43357554
(2S)-4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 61154132
2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]-4-methylpentanoic acid
CID 119188396
4-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119188464
methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate
CID 95275306
N-(3-amino-2-methylpropyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119995818
(2S)-4-methyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119361509

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid (CID 119364174) is (2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid is CCCc1noc(CCCC(=O)N[C@H](CC(C)C)C(=O)O)n1.
What is the InChIKey of (2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid?
The InChIKey is ZVVGRIQUDFBKDJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-4-6-12-17-14(22-18-12)8-5-7-13(19)16-11(15(20)21)9-10(2)3/h10-11H,4-9H2,1-3H3,(H,16,19)(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid?
(2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid has a molecular weight of 311.38 g/mol, XLogP of 1.96, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid is sourced from PubChem (CID 119364174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).