[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(benzotriazol-1-yl)acetate

C18H24N4O3 — CID 24792741

IUPAC[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(benzotriazol-1-yl)acetate
SMILESCC(C)C(OC(=O)Cn1nnc2ccccc21)C(=O)NC1CCCC1
InChIInChI=1S/C18H24N4O3/c1-12(2)17(18(24)19-13-7-3-4-8-13)25-16(23)11-22-15-10-6-5-9-14(15)20-21-22/h5-6,9-10,12-13,17H,3-4,7-8,11H2,1-2H3,(H,19,24)
InChIKeySHHNALJFGRQMIB-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.06
Rot. Bonds6

About [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(benzotriazol-1-yl)acetate

[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(benzotriazol-1-yl)acetate (PubChem CID 24792741) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(benzotriazol-1-yl)acetate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(benzotriazol-1-yl)acetate
PubChem CID24792741
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(benzotriazol-1-yl)acetate
SMILESCC(C)C(OC(=O)Cn1nnc2ccccc21)C(=O)NC1CCCC1
InChIInChI=1S/C18H24N4O3/c1-12(2)17(18(24)19-13-7-3-4-8-13)25-16(23)11-22-15-10-6-5-9-14(15)20-21-22/h5-6,9-10,12-13,17H,3-4,7-8,11H2,1-2H3,(H,19,24)
InChIKeySHHNALJFGRQMIB-UHFFFAOYSA-N
XLogP2.06
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Benzotriazol-1-yl-acetic acid cyclopentylcarbamoylmethyl ester
CID 23908032
[2-[4-(Dimethylamino)anilino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 2554025
Benzotriazol-1-yl-acetic acid 1-cyclopentylcarbamoyl-ethyl ester
CID 24793399
{(2-Benzotriazol-1-yl-acetyl)-[(2-methoxy-ethylcarbamoyl)-phenyl-methyl]-amino}-acetic acid ethyl ester
CID 645875
2-benzotriazolyl-N-butyl-N-{[N-(2-methoxyethyl)carbamoyl]methyl}acetamide
CID 3212208
2-Benzotriazol-1-yl-N-[(2-methoxy-ethylcarbamoyl)-methyl]-N-phenyl-acetamide
CID 645268
{(2-Benzotriazol-1-yl-acetyl)-[(2-methoxy-ethylcarbamoyl)-o-tolyl-methyl]-amino}-acetic acid ethyl ester
CID 650015
tert-butyl N-[(2S)-1-(benzotriazol-1-yl)-1-oxopropan-2-yl]carbamate
CID 40621840
WO2022104345, Example S24
CID 163302983
2-(benzotriazol-1-yl)-N-(4-fluorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide
CID 3212209
2-(benzotriazol-1-yl)-N-cyclopentylacetamide
CID 7504254
2-(benzotriazol-1-yl)-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 93736362

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(benzotriazol-1-yl)acetate?
The IUPAC name of [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(benzotriazol-1-yl)acetate (CID 24792741) is [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(benzotriazol-1-yl)acetate.
What is the SMILES notation for [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(benzotriazol-1-yl)acetate?
The canonical SMILES for [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(benzotriazol-1-yl)acetate is CC(C)C(OC(=O)Cn1nnc2ccccc21)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(benzotriazol-1-yl)acetate?
The InChIKey is SHHNALJFGRQMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12(2)17(18(24)19-13-7-3-4-8-13)25-16(23)11-22-15-10-6-5-9-14(15)20-21-22/h5-6,9-10,12-13,17H,3-4,7-8,11H2,1-2H3,(H,19,24).
What are the key properties of [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(benzotriazol-1-yl)acetate?
[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(benzotriazol-1-yl)acetate has a molecular weight of 344.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(benzotriazol-1-yl)acetate is sourced from PubChem (CID 24792741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).