[2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate

C16H20N2O7S — CID 8984607

IUPAC[2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate
SMILESC[C@@H](C(=O)OCC(=O)NC1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H20N2O7S/c1-11(16(20)25-10-15(19)17-12-4-2-3-5-12)26(23,24)14-8-6-13(7-9-14)18(21)22/h6-9,11-12H,2-5,10H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyGOQFZSDQMZVOHC-NSHDSACASA-N
MW384.41 g/mol
LogP1.36
Rot. Bonds7

About [2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate

[2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate (PubChem CID 8984607) has the molecular formula C16H20N2O7S and a molecular weight of 384.41 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate
PubChem CID8984607
Molecular FormulaC16H20N2O7S
Molecular Weight384.41 g/mol
Exact Mass384.10
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate
SMILESC[C@@H](C(=O)OCC(=O)NC1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H20N2O7S/c1-11(16(20)25-10-15(19)17-12-4-2-3-5-12)26(23,24)14-8-6-13(7-9-14)18(21)22/h6-9,11-12H,2-5,10H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyGOQFZSDQMZVOHC-NSHDSACASA-N
XLogP1.36
TPSA132.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(pentan-3-ylamino)ethyl] (2R)-2-(4-nitrophenyl)sulfonylpropanoate
CID 8984470
[2-(cyclooctylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 16565526
2-(4-methylphenoxy)ethyl (2R)-2-(4-nitrophenyl)sulfonylpropanoate
CID 8984406
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate
CID 7770110
(2S)-2-(4-nitrophenyl)sulfonylpropanoate
CID 2463157
[2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323906
[2-(cyclopentylamino)-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate
CID 7837411
N-cyclohexyl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931962
(4-nitrophenyl)methyl N-cyclopentylcarbamate
CID 142246098
N-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide
CID 43389141
2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide
CID 4314611
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate
CID 8851361

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate (CID 8984607) is [2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate is C[C@@H](C(=O)OCC(=O)NC1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate?
The InChIKey is GOQFZSDQMZVOHC-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N2O7S/c1-11(16(20)25-10-15(19)17-12-4-2-3-5-12)26(23,24)14-8-6-13(7-9-14)18(21)22/h6-9,11-12H,2-5,10H2,1H3,(H,17,19)/t11-/m0/s1.
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate?
[2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate has a molecular weight of 384.41 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate is sourced from PubChem (CID 8984607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).