[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate

C14H17ClN2O5 — CID 9286413

IUPAC[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
SMILESCCNC(=O)[C@@H](C)NC(=O)COC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H17ClN2O5/c1-3-16-13(20)8(2)17-12(19)7-22-14(21)10-6-9(15)4-5-11(10)18/h4-6,8,18H,3,7H2,1-2H3,(H,16,20)(H,17,19)/t8-/m1/s1
InChIKeyJKRDNLOLSSFDGW-MRVPVSSYSA-N
MW328.75 g/mol
LogP0.84
Rot. Bonds6

About [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate

[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate (PubChem CID 9286413) has the molecular formula C14H17ClN2O5 and a molecular weight of 328.75 g/mol. Its IUPAC name is [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
PubChem CID9286413
Molecular FormulaC14H17ClN2O5
Molecular Weight328.75 g/mol
Exact Mass328.08
IUPAC Name[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
SMILESCCNC(=O)[C@@H](C)NC(=O)COC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H17ClN2O5/c1-3-16-13(20)8(2)17-12(19)7-22-14(21)10-6-9(15)4-5-11(10)18/h4-6,8,18H,3,7H2,1-2H3,(H,16,20)(H,17,19)/t8-/m1/s1
InChIKeyJKRDNLOLSSFDGW-MRVPVSSYSA-N
XLogP0.84
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate with MolForge

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Related Compounds

[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 8847713
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[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 5-bromo-2-hydroxybenzoate
CID 9231171
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CID 9286430
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 9286441
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CID 24683076
[2-oxo-2-(prop-2-ynylamino)ethyl] 5-chloro-2-hydroxybenzoate
CID 9286346
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] benzoate
CID 9018937
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 9203564
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 8604174
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7471728
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
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Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The IUPAC name of [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate (CID 9286413) is [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate.
What is the SMILES notation for [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The canonical SMILES for [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate is CCNC(=O)[C@@H](C)NC(=O)COC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The InChIKey is JKRDNLOLSSFDGW-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H17ClN2O5/c1-3-16-13(20)8(2)17-12(19)7-22-14(21)10-6-9(15)4-5-11(10)18/h4-6,8,18H,3,7H2,1-2H3,(H,16,20)(H,17,19)/t8-/m1/s1.
What are the key properties of [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate has a molecular weight of 328.75 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate is sourced from PubChem (CID 9286413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).