[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate

C14H16ClNO4 — CID 8867384

IUPAC[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)OCC(=O)NC1CC1
InChIInChI=1S/C14H16ClNO4/c1-9(20-12-6-2-10(15)3-7-12)14(18)19-8-13(17)16-11-4-5-11/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyHUNVLNOHBHAMPZ-SECBINFHSA-N
MW297.74 g/mol
LogP1.93
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate

[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate (PubChem CID 8867384) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
PubChem CID8867384
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)OCC(=O)NC1CC1
InChIInChI=1S/C14H16ClNO4/c1-9(20-12-6-2-10(15)3-7-12)14(18)19-8-13(17)16-11-4-5-11/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyHUNVLNOHBHAMPZ-SECBINFHSA-N
XLogP1.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate with MolForge

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Related Compounds

[2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8867507
[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 8791431
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8865726
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862297
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8868039
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7762853
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate
CID 4050676
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8867295
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8864971
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-chlorophenoxy)propanoate
CID 3253397
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate (CID 8867384) is [2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate is C[C@@H](Oc1ccc(Cl)cc1)C(=O)OCC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate?
The InChIKey is HUNVLNOHBHAMPZ-SECBINFHSA-N. The full InChI is InChI=1S/C14H16ClNO4/c1-9(20-12-6-2-10(15)3-7-12)14(18)19-8-13(17)16-11-4-5-11/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,16,17)/t9-/m1/s1.
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate?
[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate has a molecular weight of 297.74 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate is sourced from PubChem (CID 8867384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).