(2S,3S)-3-cyclohexyl-2-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid

C19H24N6O3 — CID 118089714

IUPAC(2S,3S)-3-cyclohexyl-2-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
SMILESO=C(Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1[C@H](C2CCCCC2)CCN1C(=O)O
InChIInChI=1S/C19H24N6O3/c26-18(20-14-8-6-13(7-9-14)17-21-23-24-22-17)16-15(10-11-25(16)19(27)28)12-4-2-1-3-5-12/h6-9,12,15-16H,1-5,10-11H2,(H,20,26)(H,27,28)(H,21,22,23,24)/t15-,16-/m0/s1
InChIKeyYBFWGBNTPJXQAJ-HOTGVXAUSA-N
MW384.44 g/mol
LogP2.75
Rot. Bonds4

About (2S,3S)-3-cyclohexyl-2-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid

(2S,3S)-3-cyclohexyl-2-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 118089714) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is (2S,3S)-3-cyclohexyl-2-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-3-cyclohexyl-2-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID118089714
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name(2S,3S)-3-cyclohexyl-2-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
SMILESO=C(Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1[C@H](C2CCCCC2)CCN1C(=O)O
InChIInChI=1S/C19H24N6O3/c26-18(20-14-8-6-13(7-9-14)17-21-23-24-22-17)16-15(10-11-25(16)19(27)28)12-4-2-1-3-5-12/h6-9,12,15-16H,1-5,10-11H2,(H,20,26)(H,27,28)(H,21,22,23,24)/t15-,16-/m0/s1
InChIKeyYBFWGBNTPJXQAJ-HOTGVXAUSA-N
XLogP2.75
TPSA124.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-3-cyclohexyl-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 118088747
(2S)-1-N-propan-2-yl-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 122137912
1-(2-methylbutan-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 172695926
1-amino-N-[4-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 119312969
(2S,3S)-3-cyclohexyl-2-[[4-(3-ethoxypropoxycarbonyl)-3-fluorophenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 118088748
N-cyclohexyl-4-(2H-tetrazol-5-yl)benzamide
CID 23541044
tert-butyl (2S,3S)-3-cyclohexyl-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 118100780
N-(4-phenylphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487596
(2S,3S)-3-cyclohexyl-2-[[2-(1,3-dimethoxypropan-2-yloxycarbonyl)-1-benzofuran-5-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 118090070
cis-(1R,2S)-2-cyclohexyl-N-[4-(4-methoxy-3-methylphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 138696214
1-benzoyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-2-carboxamide
CID 136524906
(2S,3S)-3-cyclohexyl-2-[[2-(1,3-diethoxypropan-2-yloxycarbonyl)-1-benzofuran-5-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 118089586

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-cyclohexyl-2-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,3S)-3-cyclohexyl-2-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid (CID 118089714) is (2S,3S)-3-cyclohexyl-2-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,3S)-3-cyclohexyl-2-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,3S)-3-cyclohexyl-2-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid is O=C(Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1[C@H](C2CCCCC2)CCN1C(=O)O.
What is the InChIKey of (2S,3S)-3-cyclohexyl-2-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is YBFWGBNTPJXQAJ-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H24N6O3/c26-18(20-14-8-6-13(7-9-14)17-21-23-24-22-17)16-15(10-11-25(16)19(27)28)12-4-2-1-3-5-12/h6-9,12,15-16H,1-5,10-11H2,(H,20,26)(H,27,28)(H,21,22,23,24)/t15-,16-/m0/s1.
What are the key properties of (2S,3S)-3-cyclohexyl-2-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid?
(2S,3S)-3-cyclohexyl-2-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 384.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-cyclohexyl-2-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 118089714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).