[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

C18H26N4O5 — CID 7617065

IUPAC[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
SMILESCC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C
InChIInChI=1S/C18H26N4O5/c1-10(2)13(21-18(26)20-12-8-6-5-7-9-12)16(24)27-14(11(3)4)15(23)22-17(19)25/h5-11,13-14H,1-4H3,(H2,20,21,26)(H3,19,22,23,25)/t13-,14-/m1/s1
InChIKeyTVNALUVNKPOKJR-ZIAGYGMSSA-N
MW378.43 g/mol
LogP1.60
Rot. Bonds7

About [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate (PubChem CID 7617065) has the molecular formula C18H26N4O5 and a molecular weight of 378.43 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
PubChem CID7617065
Molecular FormulaC18H26N4O5
Molecular Weight378.43 g/mol
Exact Mass378.19
IUPAC Name[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
SMILESCC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C
InChIInChI=1S/C18H26N4O5/c1-10(2)13(21-18(26)20-12-8-6-5-7-9-12)16(24)27-14(11(3)4)15(23)22-17(19)25/h5-11,13-14H,1-4H3,(H2,20,21,26)(H3,19,22,23,25)/t13-,14-/m1/s1
InChIKeyTVNALUVNKPOKJR-ZIAGYGMSSA-N
XLogP1.60
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617063
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617077
N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 134045604
(2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617134
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 8981710
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 8981838
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617015
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 8981946
[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 8982061
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616772
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 8981885
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616997

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate?
The IUPAC name of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate (CID 7617065) is [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate is CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C.
What is the InChIKey of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate?
The InChIKey is TVNALUVNKPOKJR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H26N4O5/c1-10(2)13(21-18(26)20-12-8-6-5-7-9-12)16(24)27-14(11(3)4)15(23)22-17(19)25/h5-11,13-14H,1-4H3,(H2,20,21,26)(H3,19,22,23,25)/t13-,14-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate?
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate has a molecular weight of 378.43 g/mol, XLogP of 1.60, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate is sourced from PubChem (CID 7617065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).