[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate

C14H17NO4 — CID 7697256

IUPAC[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
SMILESC[C@H](OC(=O)COc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C14H17NO4/c1-10(14(17)15-11-7-8-11)19-13(16)9-18-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyUAVCTUQHFKJLCO-JTQLQIEISA-N
MW263.29 g/mol
LogP1.28
Rot. Bonds6

About [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate (PubChem CID 7697256) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate.

Molecular Properties

Compound Name[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
PubChem CID7697256
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
SMILESC[C@H](OC(=O)COc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C14H17NO4/c1-10(14(17)15-11-7-8-11)19-13(16)9-18-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyUAVCTUQHFKJLCO-JTQLQIEISA-N
XLogP1.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate
CID 61321535
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 7903020
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598408
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750619
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)acetate
CID 7842569
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854091
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 3667679
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842663
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 7970509
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate
CID 7770110
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 42968778
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 8735606

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate?
The IUPAC name of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate (CID 7697256) is [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate.
What is the SMILES notation for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate?
The canonical SMILES for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate is C[C@H](OC(=O)COc1ccccc1)C(=O)NC1CC1.
What is the InChIKey of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate?
The InChIKey is UAVCTUQHFKJLCO-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17NO4/c1-10(14(17)15-11-7-8-11)19-13(16)9-18-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3,(H,15,17)/t10-/m0/s1.
What are the key properties of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate?
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate has a molecular weight of 263.29 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate is sourced from PubChem (CID 7697256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).