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

C14H21N3O4 — CID 106320037

IUPACcis-(1R,3S)-3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCCCc1noc(CCC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)n1
InChIInChI=1S/C14H21N3O4/c1-2-3-11-16-13(21-17-11)7-6-12(18)15-10-5-4-9(8-10)14(19)20/h9-10H,2-8H2,1H3,(H,15,18)(H,19,20)/t9-,10+/m1/s1
InChIKeyLXMQYFZZZNSZQQ-ZJUUUORDSA-N
MW295.34 g/mol
LogP1.32
Rot. Bonds7

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

cis-(1R,3S)-3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106320037) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is cis-(1R,3S)-3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID106320037
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Namecis-(1R,3S)-3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCCCc1noc(CCC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)n1
InChIInChI=1S/C14H21N3O4/c1-2-3-11-16-13(21-17-11)7-6-12(18)15-10-5-4-9(8-10)14(19)20/h9-10H,2-8H2,1H3,(H,15,18)(H,19,20)/t9-,10+/m1/s1
InChIKeyLXMQYFZZZNSZQQ-ZJUUUORDSA-N
XLogP1.32
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1R,3S)-3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

N-[(1R,2R)-2-methylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 94811051
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 124742438
N-[2-(hydroxymethyl)cyclopentyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 103774119
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119458881
3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66032108
cis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675637
2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 62696305
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-methylcyclohexyl)propanamide
CID 38415452
1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid
CID 43355954
cis-(1R,3S)-3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 106320393
3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 66030150
N-[(3R)-2-oxoazepan-3-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 95126957

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid (CID 106320037) is cis-(1R,3S)-3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid is CCCc1noc(CCC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)n1.
What is the InChIKey of cis-(1R,3S)-3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is LXMQYFZZZNSZQQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-2-3-11-16-13(21-17-11)7-6-12(18)15-10-5-4-9(8-10)14(19)20/h9-10H,2-8H2,1H3,(H,15,18)(H,19,20)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.32, 7 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-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).