N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide

C17H23N5O2 — CID 5273753

IUPACN-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide
SMILESCC(C)[C@H](NC(=O)n1nnc2ccccc21)C(=O)NC1CCCC1
InChIInChI=1S/C17H23N5O2/c1-11(2)15(16(23)18-12-7-3-4-8-12)19-17(24)22-14-10-6-5-9-13(14)20-21-22/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,18,23)(H,19,24)/t15-/m0/s1
InChIKeyGOBKVUOSMJDFOP-HNNXBMFYSA-N
MW329.40 g/mol
LogP2.07
Rot. Bonds4

About N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide

N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide (PubChem CID 5273753) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide
PubChem CID5273753
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide
SMILESCC(C)[C@H](NC(=O)n1nnc2ccccc21)C(=O)NC1CCCC1
InChIInChI=1S/C17H23N5O2/c1-11(2)15(16(23)18-12-7-3-4-8-12)19-17(24)22-14-10-6-5-9-13(14)20-21-22/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,18,23)(H,19,24)/t15-/m0/s1
InChIKeyGOBKVUOSMJDFOP-HNNXBMFYSA-N
XLogP2.07
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide?
The IUPAC name of N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide (CID 5273753) is N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide?
The canonical SMILES for N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide is CC(C)[C@H](NC(=O)n1nnc2ccccc21)C(=O)NC1CCCC1.
What is the InChIKey of N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide?
The InChIKey is GOBKVUOSMJDFOP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11(2)15(16(23)18-12-7-3-4-8-12)19-17(24)22-14-10-6-5-9-13(14)20-21-22/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,18,23)(H,19,24)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide?
N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide is sourced from PubChem (CID 5273753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).