[(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate

C18H19NO4 — CID 9139840

IUPAC[(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate
SMILESC[C@H](OC(=O)CCOc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C18H19NO4/c1-14(18(21)19-15-8-4-2-5-9-15)23-17(20)12-13-22-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyVVOGZQFNWXFIST-AWEZNQCLSA-N
MW313.35 g/mol
LogP3.03
Rot. Bonds7

About [(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate

[(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate (PubChem CID 9139840) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate.

Molecular Properties

Compound Name[(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate
PubChem CID9139840
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate
SMILESC[C@H](OC(=O)CCOc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C18H19NO4/c1-14(18(21)19-15-8-4-2-5-9-15)23-17(20)12-13-22-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyVVOGZQFNWXFIST-AWEZNQCLSA-N
XLogP3.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 55316402
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 9139859
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 7729395
[1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 55316551
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 7185654
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate
CID 7841449
[1-(4-methylanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate
CID 16535238
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 7841458
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3-phenoxypropanoate
CID 9139857
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate
CID 46514008
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 9139775
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate
CID 7840308

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate?
The IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate (CID 9139840) is [(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate.
What is the SMILES notation for [(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate?
The canonical SMILES for [(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate is C[C@H](OC(=O)CCOc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of [(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate?
The InChIKey is VVOGZQFNWXFIST-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19NO4/c1-14(18(21)19-15-8-4-2-5-9-15)23-17(20)12-13-22-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of [(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate?
[(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate has a molecular weight of 313.35 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate is sourced from PubChem (CID 9139840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).