2-[cyclopropylmethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid

C12H19N3O3 — CID 43656435

IUPAC2-[cyclopropylmethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
SMILESCCCc1noc(CN(CC(=O)O)CC2CC2)n1
InChIInChI=1S/C12H19N3O3/c1-2-3-10-13-11(18-14-10)7-15(8-12(16)17)6-9-4-5-9/h9H,2-8H2,1H3,(H,16,17)
InChIKeyCJNCLLBSVYVHFV-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.32
Rot. Bonds8

About 2-[cyclopropylmethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid

2-[cyclopropylmethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid (PubChem CID 43656435) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
PubChem CID43656435
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[cyclopropylmethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
SMILESCCCc1noc(CN(CC(=O)O)CC2CC2)n1
InChIInChI=1S/C12H19N3O3/c1-2-3-10-13-11(18-14-10)7-15(8-12(16)17)6-9-4-5-9/h9H,2-8H2,1H3,(H,16,17)
InChIKeyCJNCLLBSVYVHFV-UHFFFAOYSA-N
XLogP1.32
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-((3-(Cyclopropylmethyl)-1,2,4-oxadiazol-5-yl)methyl)piperazin-1-yl)-N,N-dimethylacetamide
CID 16190695
Ethyl 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxylate
CID 16191422
Cyclopropyl-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 45805678
2-[4-[(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47020398
5-[(4-Ethylpiperazin-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 47020900
2-[4-[[3-(2-Methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanol
CID 47020907
5-[[4-(3-Methylbutyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 47039404
5-[[4-(3-Methylbutyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 47039405
3-Cyclopropyl-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 47039412
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 51077057
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)-2-propanamine
CID 25380471
1-[4-[(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 45808513

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid (CID 43656435) is 2-[cyclopropylmethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid is CCCc1noc(CN(CC(=O)O)CC2CC2)n1.
What is the InChIKey of 2-[cyclopropylmethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid?
The InChIKey is CJNCLLBSVYVHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-2-3-10-13-11(18-14-10)7-15(8-12(16)17)6-9-4-5-9/h9H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropylmethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid?
2-[cyclopropylmethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid has a molecular weight of 253.30 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid is sourced from PubChem (CID 43656435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).