2-[cyclopropyl-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid

C15H23N3O4 — CID 119202639

IUPAC2-[cyclopropyl-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
SMILESCCCc1noc(CCCC(=O)N(C2CC2)C(C)C(=O)O)n1
InChIInChI=1S/C15H23N3O4/c1-3-5-12-16-13(22-17-12)6-4-7-14(19)18(11-8-9-11)10(2)15(20)21/h10-11H,3-9H2,1-2H3,(H,20,21)
InChIKeyTXPZWGOYFKNRTK-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.81
Rot. Bonds9

About 2-[cyclopropyl-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid

2-[cyclopropyl-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid (PubChem CID 119202639) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[cyclopropyl-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
PubChem CID119202639
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name2-[cyclopropyl-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
SMILESCCCc1noc(CCCC(=O)N(C2CC2)C(C)C(=O)O)n1
InChIInChI=1S/C15H23N3O4/c1-3-5-12-16-13(22-17-12)6-4-7-14(19)18(11-8-9-11)10(2)15(20)21/h10-11H,3-9H2,1-2H3,(H,20,21)
InChIKeyTXPZWGOYFKNRTK-UHFFFAOYSA-N
XLogP1.81
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
CID 119202492
N-(1-aminopropan-2-yl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119584608
(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid
CID 119238057
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]propanoic acid
CID 119208889
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 87011070
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
N-(3-amino-4-methylpentyl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119660679
N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 51076743
2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 62696305
2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid
CID 119202197
ethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate
CID 55821563

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid (CID 119202639) is 2-[cyclopropyl-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid is CCCc1noc(CCCC(=O)N(C2CC2)C(C)C(=O)O)n1.
What is the InChIKey of 2-[cyclopropyl-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid?
The InChIKey is TXPZWGOYFKNRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-3-5-12-16-13(22-17-12)6-4-7-14(19)18(11-8-9-11)10(2)15(20)21/h10-11H,3-9H2,1-2H3,(H,20,21).
What are the key properties of 2-[cyclopropyl-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid?
2-[cyclopropyl-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid has a molecular weight of 309.37 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid is sourced from PubChem (CID 119202639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).