cis-(1R,3S)-3-[3-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid

C12H17N3O3 — CID 155266234

IUPACcis-(1R,3S)-3-[3-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
SMILESNCC1(c2noc([C@H]3CC[C@@H](C(=O)O)C3)n2)CC1
InChIInChI=1S/C12H17N3O3/c13-6-12(3-4-12)11-14-9(18-15-11)7-1-2-8(5-7)10(16)17/h7-8H,1-6,13H2,(H,16,17)/t7-,8+/m0/s1
InChIKeySVKJWIBTMRGRII-JGVFFNPUSA-N
MW251.29 g/mol
LogP1.03
Rot. Bonds4

About cis-(1R,3S)-3-[3-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[3-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid (PubChem CID 155266234) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is cis-(1R,3S)-3-[3-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[3-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
PubChem CID155266234
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namecis-(1R,3S)-3-[3-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
SMILESNCC1(c2noc([C@H]3CC[C@@H](C(=O)O)C3)n2)CC1
InChIInChI=1S/C12H17N3O3/c13-6-12(3-4-12)11-14-9(18-15-11)7-1-2-8(5-7)10(16)17/h7-8H,1-6,13H2,(H,16,17)/t7-,8+/m0/s1
InChIKeySVKJWIBTMRGRII-JGVFFNPUSA-N
XLogP1.03
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[3-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[3-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid (CID 155266234) is cis-(1R,3S)-3-[3-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[3-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[3-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid is NCC1(c2noc([C@H]3CC[C@@H](C(=O)O)C3)n2)CC1.
What is the InChIKey of cis-(1R,3S)-3-[3-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The InChIKey is SVKJWIBTMRGRII-JGVFFNPUSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-6-12(3-4-12)11-14-9(18-15-11)7-1-2-8(5-7)10(16)17/h7-8H,1-6,13H2,(H,16,17)/t7-,8+/m0/s1.
What are the key properties of cis-(1R,3S)-3-[3-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[3-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[3-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 155266234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).