cis-(1R,3S)-3-[[4-(triazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid

C15H16N4O3 — CID 120678961

IUPACcis-(1R,3S)-3-[[4-(triazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C15H16N4O3/c20-14(17-12-4-1-11(9-12)15(21)22)10-2-5-13(6-3-10)19-8-7-16-18-19/h2-3,5-8,11-12H,1,4,9H2,(H,17,20)(H,21,22)/t11-,12+/m1/s1
InChIKeyWBDIAYGCKACUHJ-NEPJUHHUSA-N
MW300.32 g/mol
LogP1.25
Rot. Bonds4

About cis-(1R,3S)-3-[[4-(triazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[4-(triazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120678961) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[4-(triazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[4-(triazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120678961
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Namecis-(1R,3S)-3-[[4-(triazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C15H16N4O3/c20-14(17-12-4-1-11(9-12)15(21)22)10-2-5-13(6-3-10)19-8-7-16-18-19/h2-3,5-8,11-12H,1,4,9H2,(H,17,20)(H,21,22)/t11-,12+/m1/s1
InChIKeyWBDIAYGCKACUHJ-NEPJUHHUSA-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

N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-(triazol-1-yl)benzamide
CID 155945136
N-(3-methylcyclopentyl)-4-(tetrazol-1-yl)benzamide
CID 114550130
cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 114173152
N-(2-methoxycyclohexyl)-4-(triazol-1-yl)benzamide
CID 75434169
5-[4-(triazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117399252
N-(4-hydroxy-1-methylcyclohexyl)-4-(triazol-1-yl)benzamide
CID 166280881
cis-(1R,3S)-3-[(1-phenyl-1,2,4-triazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677931
cis-(1S,3R)-3-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120675005
trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318292
cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675705
cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677236
3-[(2-chloropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103932881

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[4-(triazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[4-(triazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid (CID 120678961) is cis-(1R,3S)-3-[[4-(triazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[4-(triazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[4-(triazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(-n2ccnn2)cc1.
What is the InChIKey of cis-(1R,3S)-3-[[4-(triazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is WBDIAYGCKACUHJ-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-14(17-12-4-1-11(9-12)15(21)22)10-2-5-13(6-3-10)19-8-7-16-18-19/h2-3,5-8,11-12H,1,4,9H2,(H,17,20)(H,21,22)/t11-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[4-(triazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[4-(triazol-1-yl)benzoyl]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-(1R,3S)-3-[[4-(triazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).