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

C12H19N3O3 — CID 43656524

IUPAC2-[cyclopropylmethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
SMILESCC(C)c1noc(CN(CC(=O)O)CC2CC2)n1
InChIInChI=1S/C12H19N3O3/c1-8(2)12-13-10(18-14-12)6-15(7-11(16)17)5-9-3-4-9/h8-9H,3-7H2,1-2H3,(H,16,17)
InChIKeyJMLOPOSONIVHFB-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.49
Rot. Bonds7

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

2-[cyclopropylmethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid (PubChem CID 43656524) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
PubChem CID43656524
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[cyclopropylmethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
SMILESCC(C)c1noc(CN(CC(=O)O)CC2CC2)n1
InChIInChI=1S/C12H19N3O3/c1-8(2)12-13-10(18-14-12)6-15(7-11(16)17)5-9-3-4-9/h8-9H,3-7H2,1-2H3,(H,16,17)
InChIKeyJMLOPOSONIVHFB-UHFFFAOYSA-N
XLogP1.49
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid (CID 43656524) is 2-[cyclopropylmethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid is CC(C)c1noc(CN(CC(=O)O)CC2CC2)n1.
What is the InChIKey of 2-[cyclopropylmethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid?
The InChIKey is JMLOPOSONIVHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(2)12-13-10(18-14-12)6-15(7-11(16)17)5-9-3-4-9/h8-9H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[cyclopropylmethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid?
2-[cyclopropylmethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid has a molecular weight of 253.30 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid is sourced from PubChem (CID 43656524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).