[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate

C18H24N2O5 — CID 8998692

IUPAC[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
SMILESCOCc1cccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCC2)c1
InChIInChI=1S/C18H24N2O5/c1-12(16(21)20-18(23)19-15-8-3-4-9-15)25-17(22)14-7-5-6-13(10-14)11-24-2/h5-7,10,12,15H,3-4,8-9,11H2,1-2H3,(H2,19,20,21,23)/t12-/m0/s1
InChIKeyMQWCNKDULQSEAQ-LBPRGKRZSA-N
MW348.40 g/mol
LogP2.15
Rot. Bonds6

About [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate

[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate (PubChem CID 8998692) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate.

Molecular Properties

Compound Name[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
PubChem CID8998692
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
SMILESCOCc1cccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCC2)c1
InChIInChI=1S/C18H24N2O5/c1-12(16(21)20-18(23)19-15-8-3-4-9-15)25-17(22)14-7-5-6-13(10-14)11-24-2/h5-7,10,12,15H,3-4,8-9,11H2,1-2H3,(H2,19,20,21,23)/t12-/m0/s1
InChIKeyMQWCNKDULQSEAQ-LBPRGKRZSA-N
XLogP2.15
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9065157
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 55358871
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
CID 7506538
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 40616563
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8732402
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(prop-2-enylsulfamoyl)benzoate
CID 8987385
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 8998609
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 7749163
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133587
[(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9065135
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate
CID 7840127
bis[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] benzene-1,3-dicarboxylate
CID 9016814

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate?
The IUPAC name of [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate (CID 8998692) is [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate.
What is the SMILES notation for [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate?
The canonical SMILES for [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate is COCc1cccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCC2)c1.
What is the InChIKey of [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate?
The InChIKey is MQWCNKDULQSEAQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-12(16(21)20-18(23)19-15-8-3-4-9-15)25-17(22)14-7-5-6-13(10-14)11-24-2/h5-7,10,12,15H,3-4,8-9,11H2,1-2H3,(H2,19,20,21,23)/t12-/m0/s1.
What are the key properties of [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate?
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate has a molecular weight of 348.40 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate is sourced from PubChem (CID 8998692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).