[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylbutanoate

C17H22N2O4 — CID 46658533

IUPAC[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylbutanoate
SMILESCCC(C(=O)OC(C)C(=O)NC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C17H22N2O4/c1-3-14(12-7-5-4-6-8-12)16(21)23-11(2)15(20)19-17(22)18-13-9-10-13/h4-8,11,13-14H,3,9-10H2,1-2H3,(H2,18,19,20,22)
InChIKeyUDEQYEPQCXYSBB-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.10
Rot. Bonds6

About [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylbutanoate

[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylbutanoate (PubChem CID 46658533) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylbutanoate.

Molecular Properties

Compound Name[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylbutanoate
PubChem CID46658533
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylbutanoate
SMILESCCC(C(=O)OC(C)C(=O)NC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C17H22N2O4/c1-3-14(12-7-5-4-6-8-12)16(21)23-11(2)15(20)19-17(22)18-13-9-10-13/h4-8,11,13-14H,3,9-10H2,1-2H3,(H2,18,19,20,22)
InChIKeyUDEQYEPQCXYSBB-UHFFFAOYSA-N
XLogP2.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate
CID 7811318
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821719
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821721
N-(4-aminocyclohexyl)-2-phenylbutanamide
CID 43653055
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate
CID 7810977
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-2-phenylbutanoate
CID 7811330
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874778
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874780
propan-2-yl (2R)-2-phenylbutanoate
CID 15006686
2-amino-3-methoxy-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 120988219
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-ethylsulfanylbenzoate
CID 8959484
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-phenylbutanoate
CID 46619032

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylbutanoate?
The IUPAC name of [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylbutanoate (CID 46658533) is [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylbutanoate.
What is the SMILES notation for [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylbutanoate?
The canonical SMILES for [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylbutanoate is CCC(C(=O)OC(C)C(=O)NC(=O)NC1CC1)c1ccccc1.
What is the InChIKey of [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylbutanoate?
The InChIKey is UDEQYEPQCXYSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-14(12-7-5-4-6-8-12)16(21)23-11(2)15(20)19-17(22)18-13-9-10-13/h4-8,11,13-14H,3,9-10H2,1-2H3,(H2,18,19,20,22).
What are the key properties of [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylbutanoate?
[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylbutanoate has a molecular weight of 318.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylbutanoate is sourced from PubChem (CID 46658533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).