[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate

C14H18N2O4 — CID 7811318

IUPAC[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate
SMILESCC[C@@H](C(=O)O[C@@H](C)C(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-3-11(10-7-5-4-6-8-10)13(18)20-9(2)12(17)16-14(15)19/h4-9,11H,3H2,1-2H3,(H3,15,16,17,19)/t9-,11+/m0/s1
InChIKeyCXCYYMUWYBRSIX-GXSJLCMTSA-N
MW278.31 g/mol
LogP1.31
Rot. Bonds5

About [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate (PubChem CID 7811318) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate.

Molecular Properties

Compound Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate
PubChem CID7811318
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate
SMILESCC[C@@H](C(=O)O[C@@H](C)C(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-3-11(10-7-5-4-6-8-10)13(18)20-9(2)12(17)16-14(15)19/h4-9,11H,3H2,1-2H3,(H3,15,16,17,19)/t9-,11+/m0/s1
InChIKeyCXCYYMUWYBRSIX-GXSJLCMTSA-N
XLogP1.31
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7772782
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-2-phenylbutanoate
CID 7811330
propan-2-yl (2R)-2-phenylbutanoate
CID 15006686
[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylbutanoate
CID 46658533
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate
CID 7810977
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate
CID 7229925
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-phenylbutanoate
CID 46619032
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate
CID 7810987
2-methylpentan-3-yl 2-phenylbutanoate
CID 91691821
(2-phenylbutanoylamino)urea
CID 63946462
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 2520831
[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-phenylbutanoate
CID 46629703

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate?
The IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate (CID 7811318) is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate.
What is the SMILES notation for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate?
The canonical SMILES for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate is CC[C@@H](C(=O)O[C@@H](C)C(=O)NC(N)=O)c1ccccc1.
What is the InChIKey of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate?
The InChIKey is CXCYYMUWYBRSIX-GXSJLCMTSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-3-11(10-7-5-4-6-8-10)13(18)20-9(2)12(17)16-14(15)19/h4-9,11H,3H2,1-2H3,(H3,15,16,17,19)/t9-,11+/m0/s1.
What are the key properties of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate?
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate has a molecular weight of 278.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate is sourced from PubChem (CID 7811318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).