[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

C17H22N4O5 — CID 7616874

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
SMILESCC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)OCC(=O)N1CCNC1=O
InChIInChI=1S/C17H22N4O5/c1-11(2)14(20-16(24)19-12-6-4-3-5-7-12)15(23)26-10-13(22)21-9-8-18-17(21)25/h3-7,11,14H,8-10H2,1-2H3,(H,18,25)(H2,19,20,24)/t14-/m1/s1
InChIKeyWKNVVKYBUIRDOW-CQSZACIVSA-N
MW362.39 g/mol
LogP0.93
Rot. Bonds6

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate (PubChem CID 7616874) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
PubChem CID7616874
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
SMILESCC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)OCC(=O)N1CCNC1=O
InChIInChI=1S/C17H22N4O5/c1-11(2)14(20-16(24)19-12-6-4-3-5-7-12)15(23)26-10-13(22)21-9-8-18-17(21)25/h3-7,11,14H,8-10H2,1-2H3,(H,18,25)(H2,19,20,24)/t14-/m1/s1
InChIKeyWKNVVKYBUIRDOW-CQSZACIVSA-N
XLogP0.93
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617134
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616948
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616940
[2-(benzylamino)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617252
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616755
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926353
[2-(N-methylanilino)-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617162
[2-(4-carbamoylanilino)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617290
[2-(4-acetylanilino)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617308
[2-(4-acetylanilino)-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617307
[2-(2-methoxyethylamino)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616904
[2-[4-(dimethylamino)anilino]-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617215

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate (CID 7616874) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate is CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)OCC(=O)N1CCNC1=O.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate?
The InChIKey is WKNVVKYBUIRDOW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O5/c1-11(2)14(20-16(24)19-12-6-4-3-5-7-12)15(23)26-10-13(22)21-9-8-18-17(21)25/h3-7,11,14H,8-10H2,1-2H3,(H,18,25)(H2,19,20,24)/t14-/m1/s1.
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate has a molecular weight of 362.39 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate is sourced from PubChem (CID 7616874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).