[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate

C17H21NO4 — CID 7717472

IUPAC[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)C2CCCC2)c1
InChIInChI=1S/C17H21NO4/c1-11(19)14-8-5-9-15(10-14)18-16(20)12(2)22-17(21)13-6-3-4-7-13/h5,8-10,12-13H,3-4,6-7H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeyQYJCUGJNQDTMRL-GFCCVEGCSA-N
MW303.36 g/mol
LogP2.95
Rot. Bonds5

About [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate

[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate (PubChem CID 7717472) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
PubChem CID7717472
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)C2CCCC2)c1
InChIInChI=1S/C17H21NO4/c1-11(19)14-8-5-9-15(10-14)18-16(20)12(2)22-17(21)13-6-3-4-7-13/h5,8-10,12-13H,3-4,6-7H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeyQYJCUGJNQDTMRL-GFCCVEGCSA-N
XLogP2.95
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7932078
[1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 24662026
trans-[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 7776691
[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] cyclopentanecarboxylate
CID 42900734
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2363250
[1-(3-acetylanilino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 46819320
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 40609067
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 7863542
[(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2511050
[(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717600
[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 26747601
[1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 42900728

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
The IUPAC name of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate (CID 7717472) is [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate.
What is the SMILES notation for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
The canonical SMILES for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate is CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)C2CCCC2)c1.
What is the InChIKey of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
The InChIKey is QYJCUGJNQDTMRL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21NO4/c1-11(19)14-8-5-9-15(10-14)18-16(20)12(2)22-17(21)13-6-3-4-7-13/h5,8-10,12-13H,3-4,6-7H2,1-2H3,(H,18,20)/t12-/m1/s1.
What are the key properties of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate has a molecular weight of 303.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate is sourced from PubChem (CID 7717472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).