[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-methylpentanoate

C17H24N2O4 — CID 8575873

IUPAC[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-methylpentanoate
SMILESCC(C)CCC(=O)O[C@H](C)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H24N2O4/c1-12(2)9-10-15(20)23-13(3)16(21)19-17(22)18-11-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H2,18,19,21,22)/t13-/m1/s1
InChIKeySOLZJPHFQSSPIG-CYBMUJFWSA-N
MW320.39 g/mol
LogP2.38
Rot. Bonds7

About [(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-methylpentanoate

[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-methylpentanoate (PubChem CID 8575873) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is [(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-methylpentanoate.

Molecular Properties

Compound Name[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-methylpentanoate
PubChem CID8575873
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-methylpentanoate
SMILESCC(C)CCC(=O)O[C@H](C)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H24N2O4/c1-12(2)9-10-15(20)23-13(3)16(21)19-17(22)18-11-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H2,18,19,21,22)/t13-/m1/s1
InChIKeySOLZJPHFQSSPIG-CYBMUJFWSA-N
XLogP2.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 55425396
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)acetate
CID 8958349
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate
CID 9061481
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dimethoxyphenyl)propanoate
CID 9309288
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxypropanoate
CID 55417062
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate
CID 8860288
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 5-[(3S)-dithiolan-3-yl]pentanoate
CID 8883480
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 55421930
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 46619463
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate
CID 8625557
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-nitrophenoxy)acetate
CID 55417869
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 55419043

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-methylpentanoate?
The IUPAC name of [(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-methylpentanoate (CID 8575873) is [(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-methylpentanoate.
What is the SMILES notation for [(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-methylpentanoate?
The canonical SMILES for [(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-methylpentanoate is CC(C)CCC(=O)O[C@H](C)C(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of [(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-methylpentanoate?
The InChIKey is SOLZJPHFQSSPIG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12(2)9-10-15(20)23-13(3)16(21)19-17(22)18-11-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H2,18,19,21,22)/t13-/m1/s1.
What are the key properties of [(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-methylpentanoate?
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-methylpentanoate has a molecular weight of 320.39 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-methylpentanoate is sourced from PubChem (CID 8575873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).