[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-methylbutanoate

C18H25N3O5 — CID 2582658

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-methylbutanoate
SMILESCC(C)NC(=O)NC(=O)COC(=O)[C@H](NC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C18H25N3O5/c1-11(2)15(21-16(23)13-8-6-5-7-9-13)17(24)26-10-14(22)20-18(25)19-12(3)4/h5-9,11-12,15H,10H2,1-4H3,(H,21,23)(H2,19,20,22,25)/t15-/m1/s1
InChIKeyVXGRKJFCEUHOGS-OAHLLOKOSA-N
MW363.41 g/mol
LogP1.22
Rot. Bonds7

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-methylbutanoate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-methylbutanoate (PubChem CID 2582658) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-methylbutanoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-methylbutanoate
PubChem CID2582658
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-methylbutanoate
SMILESCC(C)NC(=O)NC(=O)COC(=O)[C@H](NC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C18H25N3O5/c1-11(2)15(21-16(23)13-8-6-5-7-9-13)17(24)26-10-14(22)20-18(25)19-12(3)4/h5-9,11-12,15H,10H2,1-4H3,(H,21,23)(H2,19,20,22,25)/t15-/m1/s1
InChIKeyVXGRKJFCEUHOGS-OAHLLOKOSA-N
XLogP1.22
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-methylbutanoate with MolForge

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Related Compounds

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568540
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
CID 7565016
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-benzamido-3-methylbutanoate
CID 55315761
[2-(ethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2582740
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 7842645
[2-(tert-butylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2582731
[2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 55925687
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2582782
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-benzamido-3-methylbutanoate
CID 55315824
benzyl (2S)-2-benzamido-3-methylbutanoate
CID 689908
[2-(3,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2583030
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-phenoxypropanoate
CID 8790635

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-methylbutanoate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-methylbutanoate (CID 2582658) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-methylbutanoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-methylbutanoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-methylbutanoate is CC(C)NC(=O)NC(=O)COC(=O)[C@H](NC(=O)c1ccccc1)C(C)C.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-methylbutanoate?
The InChIKey is VXGRKJFCEUHOGS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-11(2)15(21-16(23)13-8-6-5-7-9-13)17(24)26-10-14(22)20-18(25)19-12(3)4/h5-9,11-12,15H,10H2,1-4H3,(H,21,23)(H2,19,20,22,25)/t15-/m1/s1.
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-methylbutanoate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-methylbutanoate has a molecular weight of 363.41 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-methylbutanoate is sourced from PubChem (CID 2582658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).