4-[(1S,2R)-2-[2-[[5-(tetrazol-1-yl)pyrimidin-2-yl]amino]ethyl]cyclopropyl]piperidine-1-carboxylic acid

C16H22N8O2 — CID 118387905

IUPAC4-[(1S,2R)-2-[2-[[5-(tetrazol-1-yl)pyrimidin-2-yl]amino]ethyl]cyclopropyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC([C@H]2C[C@@H]2CCNc2ncc(-n3cnnn3)cn2)CC1
InChIInChI=1S/C16H22N8O2/c25-16(26)23-5-2-11(3-6-23)14-7-12(14)1-4-17-15-18-8-13(9-19-15)24-10-20-21-22-24/h8-12,14H,1-7H2,(H,25,26)(H,17,18,19)/t12-,14+/m0/s1
InChIKeyXYNGTYYPZVDNMK-GXTWGEPZSA-N
MW358.41 g/mol
LogP1.28
Rot. Bonds6

About 4-[(1S,2R)-2-[2-[[5-(tetrazol-1-yl)pyrimidin-2-yl]amino]ethyl]cyclopropyl]piperidine-1-carboxylic acid

4-[(1S,2R)-2-[2-[[5-(tetrazol-1-yl)pyrimidin-2-yl]amino]ethyl]cyclopropyl]piperidine-1-carboxylic acid (PubChem CID 118387905) has the molecular formula C16H22N8O2 and a molecular weight of 358.41 g/mol. Its IUPAC name is 4-[(1S,2R)-2-[2-[[5-(tetrazol-1-yl)pyrimidin-2-yl]amino]ethyl]cyclopropyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1S,2R)-2-[2-[[5-(tetrazol-1-yl)pyrimidin-2-yl]amino]ethyl]cyclopropyl]piperidine-1-carboxylic acid
PubChem CID118387905
Molecular FormulaC16H22N8O2
Molecular Weight358.41 g/mol
Exact Mass358.19
IUPAC Name4-[(1S,2R)-2-[2-[[5-(tetrazol-1-yl)pyrimidin-2-yl]amino]ethyl]cyclopropyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC([C@H]2C[C@@H]2CCNc2ncc(-n3cnnn3)cn2)CC1
InChIInChI=1S/C16H22N8O2/c25-16(26)23-5-2-11(3-6-23)14-7-12(14)1-4-17-15-18-8-13(9-19-15)24-10-20-21-22-24/h8-12,14H,1-7H2,(H,25,26)(H,17,18,19)/t12-,14+/m0/s1
InChIKeyXYNGTYYPZVDNMK-GXTWGEPZSA-N
XLogP1.28
TPSA121.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[(1S,2R)-2-[2-[[5-(tetrazol-1-yl)pyrimidin-2-yl]amino]ethyl]cyclopropyl]piperidine-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[(1R,2S)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine
CID 118387889
benzyl 4-[(1R,2S)-2-[2-[[5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate
CID 66563575
benzyl 4-[2-[2-[[5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate
CID 77143526
propyl 4-[(1R,2S)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidine-1-carboxylate
CID 70856028
4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid
CID 66927001
4-[(1R,2S)-2-[(5-methylsulfanyl-2-pyridinyl)methoxymethyl]cyclopropyl]piperidine-1-carboxylic acid
CID 118387900
5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 70855974
3-(methoxymethyl)-5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole
CID 70855999
1-(2-methylmorpholin-4-yl)-2-[4-(tetrazol-1-yl)anilino]ethanone
CID 55477811
(4-benzylsulfonylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 9298725
N-[2-[(1S,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-amine
CID 67778188
N-[4-(tetrazol-1-yl)phenyl]-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxamide
CID 72919387

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-[2-[[5-(tetrazol-1-yl)pyrimidin-2-yl]amino]ethyl]cyclopropyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(1S,2R)-2-[2-[[5-(tetrazol-1-yl)pyrimidin-2-yl]amino]ethyl]cyclopropyl]piperidine-1-carboxylic acid (CID 118387905) is 4-[(1S,2R)-2-[2-[[5-(tetrazol-1-yl)pyrimidin-2-yl]amino]ethyl]cyclopropyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(1S,2R)-2-[2-[[5-(tetrazol-1-yl)pyrimidin-2-yl]amino]ethyl]cyclopropyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(1S,2R)-2-[2-[[5-(tetrazol-1-yl)pyrimidin-2-yl]amino]ethyl]cyclopropyl]piperidine-1-carboxylic acid is O=C(O)N1CCC([C@H]2C[C@@H]2CCNc2ncc(-n3cnnn3)cn2)CC1.
What is the InChIKey of 4-[(1S,2R)-2-[2-[[5-(tetrazol-1-yl)pyrimidin-2-yl]amino]ethyl]cyclopropyl]piperidine-1-carboxylic acid?
The InChIKey is XYNGTYYPZVDNMK-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H22N8O2/c25-16(26)23-5-2-11(3-6-23)14-7-12(14)1-4-17-15-18-8-13(9-19-15)24-10-20-21-22-24/h8-12,14H,1-7H2,(H,25,26)(H,17,18,19)/t12-,14+/m0/s1.
What are the key properties of 4-[(1S,2R)-2-[2-[[5-(tetrazol-1-yl)pyrimidin-2-yl]amino]ethyl]cyclopropyl]piperidine-1-carboxylic acid?
4-[(1S,2R)-2-[2-[[5-(tetrazol-1-yl)pyrimidin-2-yl]amino]ethyl]cyclopropyl]piperidine-1-carboxylic acid has a molecular weight of 358.41 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-2-[2-[[5-(tetrazol-1-yl)pyrimidin-2-yl]amino]ethyl]cyclopropyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 118387905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).