[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate

C15H19ClN2O3 — CID 78915543

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate
SMILESCC(OC(=O)c1cccc(Cl)c1N)C(=O)NC1CCCC1
InChIInChI=1S/C15H19ClN2O3/c1-9(14(19)18-10-5-2-3-6-10)21-15(20)11-7-4-8-12(16)13(11)17/h4,7-10H,2-3,5-6,17H2,1H3,(H,18,19)
InChIKeyGIVLNZMYNCSVHH-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.53
Rot. Bonds4

About [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate

[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate (PubChem CID 78915543) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate
PubChem CID78915543
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate
SMILESCC(OC(=O)c1cccc(Cl)c1N)C(=O)NC1CCCC1
InChIInChI=1S/C15H19ClN2O3/c1-9(14(19)18-10-5-2-3-6-10)21-15(20)11-7-4-8-12(16)13(11)17/h4,7-10H,2-3,5-6,17H2,1H3,(H,18,19)
InChIKeyGIVLNZMYNCSVHH-UHFFFAOYSA-N
XLogP2.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 46815266
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2,3-dichlorobenzoate
CID 7722733
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 40730891
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508641
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate
CID 3463336
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-amino-9,10-dioxoanthracene-2-carboxylate
CID 7754506
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate
CID 7993938
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate
CID 42902648
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-amino-5-chloro-2-methoxybenzoate
CID 7414191
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 24530551
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dichloro-5-fluorobenzoate
CID 8651780
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 7767193

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate (CID 78915543) is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate is CC(OC(=O)c1cccc(Cl)c1N)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate?
The InChIKey is GIVLNZMYNCSVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-9(14(19)18-10-5-2-3-6-10)21-15(20)11-7-4-8-12(16)13(11)17/h4,7-10H,2-3,5-6,17H2,1H3,(H,18,19).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate has a molecular weight of 310.78 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate is sourced from PubChem (CID 78915543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).