[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate

C16H19NO5 — CID 7903020

IUPAC[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)O[C@H](C)C(=O)NC2CC2)c1
InChIInChI=1S/C16H19NO5/c1-10(18)12-4-3-5-14(8-12)21-9-15(19)22-11(2)16(20)17-13-6-7-13/h3-5,8,11,13H,6-7,9H2,1-2H3,(H,17,20)/t11-/m1/s1
InChIKeyHHWMHBQUPIEVCT-LLVKDONJSA-N
MW305.33 g/mol
LogP1.48
Rot. Bonds7

About [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate (PubChem CID 7903020) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
PubChem CID7903020
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)O[C@H](C)C(=O)NC2CC2)c1
InChIInChI=1S/C16H19NO5/c1-10(18)12-4-3-5-14(8-12)21-9-15(19)22-11(2)16(20)17-13-6-7-13/h3-5,8,11,13H,6-7,9H2,1-2H3,(H,17,20)/t11-/m1/s1
InChIKeyHHWMHBQUPIEVCT-LLVKDONJSA-N
XLogP1.48
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 8735606
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate
CID 61321535
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7697256
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 7902922
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 7970509
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate
CID 7853365
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 3667679
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 8735586
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273672
2-(3-acetylphenoxy)-N-cyclohexylacetamide
CID 2708999
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 8526227
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 42968778

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate?
The IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate (CID 7903020) is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate.
What is the SMILES notation for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate?
The canonical SMILES for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate is CC(=O)c1cccc(OCC(=O)O[C@H](C)C(=O)NC2CC2)c1.
What is the InChIKey of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate?
The InChIKey is HHWMHBQUPIEVCT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19NO5/c1-10(18)12-4-3-5-14(8-12)21-9-15(19)22-11(2)16(20)17-13-6-7-13/h3-5,8,11,13H,6-7,9H2,1-2H3,(H,17,20)/t11-/m1/s1.
What are the key properties of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate?
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate has a molecular weight of 305.33 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate is sourced from PubChem (CID 7903020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).