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

C10H15N3O3 — CID 43656576

IUPAC2-[cyclopropylmethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
SMILESCc1nc(CN(CC(=O)O)CC2CC2)no1
InChIInChI=1S/C10H15N3O3/c1-7-11-9(12-16-7)5-13(6-10(14)15)4-8-2-3-8/h8H,2-6H2,1H3,(H,14,15)
InChIKeyNTJPTPGALVLSIQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.67
Rot. Bonds6

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

2-[cyclopropylmethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid (PubChem CID 43656576) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
PubChem CID43656576
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[cyclopropylmethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
SMILESCc1nc(CN(CC(=O)O)CC2CC2)no1
InChIInChI=1S/C10H15N3O3/c1-7-11-9(12-16-7)5-13(6-10(14)15)4-8-2-3-8/h8H,2-6H2,1H3,(H,14,15)
InChIKeyNTJPTPGALVLSIQ-UHFFFAOYSA-N
XLogP0.67
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid (CID 43656576) is 2-[cyclopropylmethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid is Cc1nc(CN(CC(=O)O)CC2CC2)no1.
What is the InChIKey of 2-[cyclopropylmethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid?
The InChIKey is NTJPTPGALVLSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7-11-9(12-16-7)5-13(6-10(14)15)4-8-2-3-8/h8H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-[cyclopropylmethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid?
2-[cyclopropylmethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid is sourced from PubChem (CID 43656576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).