(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid

C12H19N3O4 — CID 119238057

IUPAC(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid
SMILESCCCc1noc(CCCC(=O)N[C@@H](C)C(=O)O)n1
InChIInChI=1S/C12H19N3O4/c1-3-5-9-14-11(19-15-9)7-4-6-10(16)13-8(2)12(17)18/h8H,3-7H2,1-2H3,(H,13,16)(H,17,18)/t8-/m0/s1
InChIKeyIWLHMLAUGITDEF-QMMMGPOBSA-N
MW269.30 g/mol
LogP0.93
Rot. Bonds8

About (2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid

(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid (PubChem CID 119238057) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid
PubChem CID119238057
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid
SMILESCCCc1noc(CCCC(=O)N[C@@H](C)C(=O)O)n1
InChIInChI=1S/C12H19N3O4/c1-3-5-9-14-11(19-15-9)7-4-6-10(16)13-8(2)12(17)18/h8H,3-7H2,1-2H3,(H,13,16)(H,17,18)/t8-/m0/s1
InChIKeyIWLHMLAUGITDEF-QMMMGPOBSA-N
XLogP0.93
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.93
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
(2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid
CID 119364174
3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 43357554
(2R)-3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 80750774
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
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
N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55824272
N-[2-(ethylamino)ethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119508746
N-(1-hydroxybutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 43417872
(2R)-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 119244349

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid?
The IUPAC name of (2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid (CID 119238057) is (2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid?
The canonical SMILES for (2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid is CCCc1noc(CCCC(=O)N[C@@H](C)C(=O)O)n1.
What is the InChIKey of (2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid?
The InChIKey is IWLHMLAUGITDEF-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-3-5-9-14-11(19-15-9)7-4-6-10(16)13-8(2)12(17)18/h8H,3-7H2,1-2H3,(H,13,16)(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid?
(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid has a molecular weight of 269.30 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid is sourced from PubChem (CID 119238057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).