cis-(1R,3S)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

C12H19N5O3 — CID 106320520

IUPACcis-(1R,3S)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCn1cnnc1CNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H19N5O3/c1-2-17-7-14-16-10(17)6-13-12(20)15-9-4-3-8(5-9)11(18)19/h7-9H,2-6H2,1H3,(H,18,19)(H2,13,15,20)/t8-,9+/m1/s1
InChIKeyOGHIUPUUXXQFDG-BDAKNGLRSA-N
MW281.32 g/mol
LogP0.35
Rot. Bonds5

About cis-(1R,3S)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106320520) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID106320520
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Namecis-(1R,3S)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCn1cnnc1CNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H19N5O3/c1-2-17-7-14-16-10(17)6-13-12(20)15-9-4-3-8(5-9)11(18)19/h7-9H,2-6H2,1H3,(H,18,19)(H2,13,15,20)/t8-,9+/m1/s1
InChIKeyOGHIUPUUXXQFDG-BDAKNGLRSA-N
XLogP0.35
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cis-(1R,3S)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

3-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63042310
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-phenyloxan-4-yl)urea
CID 75523195
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 53498127
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 103813782
3-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid
CID 106303640
2-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid
CID 106303825
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
CID 94156371
1-[[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 114170931
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111256113
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
1-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
CID 97060359
2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 106303782

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 106320520) is cis-(1R,3S)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is CCn1cnnc1CNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is OGHIUPUUXXQFDG-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-2-17-7-14-16-10(17)6-13-12(20)15-9-4-3-8(5-9)11(18)19/h7-9H,2-6H2,1H3,(H,18,19)(H2,13,15,20)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 281.32 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).