2-[cyclopropylmethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid

C9H13N3O3 — CID 43656577

IUPAC2-[cyclopropylmethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ncon1)CC1CC1
InChIInChI=1S/C9H13N3O3/c13-9(14)5-12(3-7-1-2-7)4-8-10-6-15-11-8/h6-7H,1-5H2,(H,13,14)
InChIKeyAXHDKYPOPTWLFM-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.37
Rot. Bonds6

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

2-[cyclopropylmethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid (PubChem CID 43656577) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
PubChem CID43656577
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[cyclopropylmethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ncon1)CC1CC1
InChIInChI=1S/C9H13N3O3/c13-9(14)5-12(3-7-1-2-7)4-8-10-6-15-11-8/h6-7H,1-5H2,(H,13,14)
InChIKeyAXHDKYPOPTWLFM-UHFFFAOYSA-N
XLogP0.37
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1,2,4-Oxadiazol-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258688
2-[Methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
CID 43442236
2-[4-(1,2,4-Oxadiazol-3-ylmethyl)piperazin-1-yl]acetic acid
CID 43521948
2-[Cyclopropylmethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
CID 43656435
2-[(3-Tert-butyl-1,2,4-oxadiazol-5-yl)methyl-(cyclopropylmethyl)amino]acetic acid
CID 43656436
2-[Cyclopropylmethyl(1,2,4-oxadiazol-5-ylmethyl)amino]acetic acid
CID 43656446
2-[Cyclopropylmethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid
CID 43656521
2-[Cyclopropylmethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
CID 43656524
2-[Cyclopropylmethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
CID 43656575
2-[Cyclopropylmethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
CID 43656576
2-[Cyclopropylmethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
CID 43656584
2-[Cyclopropylmethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
CID 54959248

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid (CID 43656577) is 2-[cyclopropylmethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid is O=C(O)CN(Cc1ncon1)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
The InChIKey is AXHDKYPOPTWLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-9(14)5-12(3-7-1-2-7)4-8-10-6-15-11-8/h6-7H,1-5H2,(H,13,14).
What are the key properties of 2-[cyclopropylmethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
2-[cyclopropylmethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid is sourced from PubChem (CID 43656577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).