[(1S)-1-(2-chlorophenyl)ethyl]-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]azanium

C16H23ClN3O2+ — CID 9306248

IUPAC[(1S)-1-(2-chlorophenyl)ethyl]-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NC(=O)NC1CCCC1)c1ccccc1Cl
InChIInChI=1S/C16H22ClN3O2/c1-11(13-8-4-5-9-14(13)17)18-10-15(21)20-16(22)19-12-6-2-3-7-12/h4-5,8-9,11-12,18H,2-3,6-7,10H2,1H3,(H2,19,20,21,22)/p+1/t11-/m0/s1
InChIKeyRUOAKYXFEZHQCC-NSHDSACASA-O
MW324.83 g/mol
LogP1.73
Rot. Bonds5

About [(1S)-1-(2-chlorophenyl)ethyl]-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]azanium

[(1S)-1-(2-chlorophenyl)ethyl]-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]azanium (PubChem CID 9306248) has the molecular formula C16H23ClN3O2+ and a molecular weight of 324.83 g/mol. Its IUPAC name is [(1S)-1-(2-chlorophenyl)ethyl]-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(2-chlorophenyl)ethyl]-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]azanium
PubChem CID9306248
Molecular FormulaC16H23ClN3O2+
Molecular Weight324.83 g/mol
Exact Mass324.15
IUPAC Name[(1S)-1-(2-chlorophenyl)ethyl]-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NC(=O)NC1CCCC1)c1ccccc1Cl
InChIInChI=1S/C16H22ClN3O2/c1-11(13-8-4-5-9-14(13)17)18-10-15(21)20-16(22)19-12-6-2-3-7-12/h4-5,8-9,11-12,18H,2-3,6-7,10H2,1H3,(H2,19,20,21,22)/p+1/t11-/m0/s1
InChIKeyRUOAKYXFEZHQCC-NSHDSACASA-O
XLogP1.73
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8919610
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898048
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]azanium
CID 9306217
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8920889
2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexylacetamide
CID 51171753
N-(cyclohexylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086112
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
CID 9306150
(2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid
CID 107314892
2-chloro-2-(2-chlorophenyl)-N-cyclopentylacetamide
CID 62224606
[(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium
CID 9307031
[(1R)-1-(2-chlorophenyl)ethyl]-[2-(4-ethylanilino)-2-oxoethyl]azanium
CID 9306915
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]azanium
CID 8710340

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl]-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl]-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]azanium (CID 9306248) is [(1S)-1-(2-chlorophenyl)ethyl]-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(2-chlorophenyl)ethyl]-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(2-chlorophenyl)ethyl]-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]azanium is C[C@H]([NH2+]CC(=O)NC(=O)NC1CCCC1)c1ccccc1Cl.
What is the InChIKey of [(1S)-1-(2-chlorophenyl)ethyl]-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]azanium?
The InChIKey is RUOAKYXFEZHQCC-NSHDSACASA-O. The full InChI is InChI=1S/C16H22ClN3O2/c1-11(13-8-4-5-9-14(13)17)18-10-15(21)20-16(22)19-12-6-2-3-7-12/h4-5,8-9,11-12,18H,2-3,6-7,10H2,1H3,(H2,19,20,21,22)/p+1/t11-/m0/s1.
What are the key properties of [(1S)-1-(2-chlorophenyl)ethyl]-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]azanium?
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]azanium has a molecular weight of 324.83 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-chlorophenyl)ethyl]-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 9306248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).