[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-chloronaphthalen-1-yl)oxyacetate

C19H22ClNO4 — CID 8665860

IUPAC[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-chloronaphthalen-1-yl)oxyacetate
SMILESCC(C)CNC(=O)[C@H](C)OC(=O)COc1ccc(Cl)c2ccccc12
InChIInChI=1S/C19H22ClNO4/c1-12(2)10-21-19(23)13(3)25-18(22)11-24-17-9-8-16(20)14-6-4-5-7-15(14)17/h4-9,12-13H,10-11H2,1-3H3,(H,21,23)/t13-/m0/s1
InChIKeyHPXNLVGXZGPQHB-ZDUSSCGKSA-N
MW363.84 g/mol
LogP3.58
Rot. Bonds7

About [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-chloronaphthalen-1-yl)oxyacetate

[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-chloronaphthalen-1-yl)oxyacetate (PubChem CID 8665860) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-chloronaphthalen-1-yl)oxyacetate.

Molecular Properties

Compound Name[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-chloronaphthalen-1-yl)oxyacetate
PubChem CID8665860
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Name[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-chloronaphthalen-1-yl)oxyacetate
SMILESCC(C)CNC(=O)[C@H](C)OC(=O)COc1ccc(Cl)c2ccccc12
InChIInChI=1S/C19H22ClNO4/c1-12(2)10-21-19(23)13(3)25-18(22)11-24-17-9-8-16(20)14-6-4-5-7-15(14)17/h4-9,12-13H,10-11H2,1-3H3,(H,21,23)/t13-/m0/s1
InChIKeyHPXNLVGXZGPQHB-ZDUSSCGKSA-N
XLogP3.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732601
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732816
[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 55419304
phenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732424
2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide
CID 7916182
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 8909333
2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide
CID 27745141
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234737
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598174
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732823
[1-(benzylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate
CID 42968779
[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-(2-formylphenoxy)acetate
CID 8608468

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
The IUPAC name of [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-chloronaphthalen-1-yl)oxyacetate (CID 8665860) is [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-chloronaphthalen-1-yl)oxyacetate.
What is the SMILES notation for [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
The canonical SMILES for [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-chloronaphthalen-1-yl)oxyacetate is CC(C)CNC(=O)[C@H](C)OC(=O)COc1ccc(Cl)c2ccccc12.
What is the InChIKey of [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
The InChIKey is HPXNLVGXZGPQHB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-12(2)10-21-19(23)13(3)25-18(22)11-24-17-9-8-16(20)14-6-4-5-7-15(14)17/h4-9,12-13H,10-11H2,1-3H3,(H,21,23)/t13-/m0/s1.
What are the key properties of [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-chloronaphthalen-1-yl)oxyacetate has a molecular weight of 363.84 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-chloronaphthalen-1-yl)oxyacetate is sourced from PubChem (CID 8665860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).