cis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid

C15H16N4O3 — CID 120674958

IUPACcis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H16N4O3/c20-14(17-11-7-6-10(8-11)15(21)22)13-9-16-19(18-13)12-4-2-1-3-5-12/h1-5,9-11H,6-8H2,(H,17,20)(H,21,22)/t10-,11+/m0/s1
InChIKeyOLECQAOPIBDLRP-WDEREUQCSA-N
MW300.32 g/mol
LogP1.25
Rot. Bonds4

About cis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120674958) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120674958
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Namecis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H16N4O3/c20-14(17-11-7-6-10(8-11)15(21)22)13-9-16-19(18-13)12-4-2-1-3-5-12/h1-5,9-11H,6-8H2,(H,17,20)(H,21,22)/t10-,11+/m0/s1
InChIKeyOLECQAOPIBDLRP-WDEREUQCSA-N
XLogP1.25
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-piperidin-4-yltriazole-4-carboxamide
CID 43345759
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide
CID 98783355
N'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide
CID 51175047
N-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide
CID 115880818
N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-phenyltriazole-4-carboxamide
CID 75279146
cis-(1R,3S)-3-[(1-phenyl-1,2,4-triazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677931
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-phenyltriazole-4-carboxamide
CID 114630914
cis-(1S,3R)-3-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120676410
N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide
CID 51896525
N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide
CID 51896523
1-(2-phenyltriazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63006198
N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide
CID 126935905

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120674958) is cis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of cis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is OLECQAOPIBDLRP-WDEREUQCSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-14(17-11-7-6-10(8-11)15(21)22)13-9-16-19(18-13)12-4-2-1-3-5-12/h1-5,9-11H,6-8H2,(H,17,20)(H,21,22)/t10-,11+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 300.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120674958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).