cis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid

C15H16ClN5O3 — CID 120678264

IUPACcis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H16ClN5O3/c16-11-4-1-9(2-5-11)14-18-20-21(19-14)8-13(22)17-12-6-3-10(7-12)15(23)24/h1-2,4-5,10,12H,3,6-8H2,(H,17,22)(H,23,24)/t10-,12+/m1/s1
InChIKeyATOUHWPIDXAWET-PWSUYJOCSA-N
MW349.78 g/mol
LogP1.36
Rot. Bonds5

About cis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120678264) has the molecular formula C15H16ClN5O3 and a molecular weight of 349.78 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120678264
Molecular FormulaC15H16ClN5O3
Molecular Weight349.78 g/mol
Exact Mass349.09
IUPAC Namecis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H16ClN5O3/c16-11-4-1-9(2-5-11)14-18-20-21(19-14)8-13(22)17-12-6-3-10(7-12)15(23)24/h1-2,4-5,10,12H,3,6-8H2,(H,17,22)(H,23,24)/t10-,12+/m1/s1
InChIKeyATOUHWPIDXAWET-PWSUYJOCSA-N
XLogP1.36
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
CID 119458083
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 4825781
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide
CID 110164165
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylpiperidin-3-yl)acetamide
CID 120575453
N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide;hydrochloride
CID 120602010
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide
CID 3179691
N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589043
N-cyclohexyl-2-[5-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]tetrazol-2-yl]acetamide
CID 7411277
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120944477
cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678603
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(6-cyclopropyl-2-pyridinyl)acetamide
CID 138042768

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid (CID 120678264) is cis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is ATOUHWPIDXAWET-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H16ClN5O3/c16-11-4-1-9(2-5-11)14-18-20-21(19-14)8-13(22)17-12-6-3-10(7-12)15(23)24/h1-2,4-5,10,12H,3,6-8H2,(H,17,22)(H,23,24)/t10-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 349.78 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).