(4S)-3-[(2R)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one

C19H29N3O3 — CID 10736440

IUPAC(4S)-3-[(2R)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one
SMILESC[C@@H](NCc1ccccc1)C(=O)N1C(=O)N(C)C[C@H]1COC(C)(C)C
InChIInChI=1S/C19H29N3O3/c1-14(20-11-15-9-7-6-8-10-15)17(23)22-16(12-21(5)18(22)24)13-25-19(2,3)4/h6-10,14,16,20H,11-13H2,1-5H3/t14-,16+/m1/s1
InChIKeyHQWIXYKOVATIAJ-ZBFHGGJFSA-N
MW347.46 g/mol
LogP2.24
Rot. Bonds6

About (4S)-3-[(2R)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one

(4S)-3-[(2R)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one (PubChem CID 10736440) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (4S)-3-[(2R)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one
PubChem CID10736440
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(4S)-3-[(2R)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one
SMILESC[C@@H](NCc1ccccc1)C(=O)N1C(=O)N(C)C[C@H]1COC(C)(C)C
InChIInChI=1S/C19H29N3O3/c1-14(20-11-15-9-7-6-8-10-15)17(23)22-16(12-21(5)18(22)24)13-25-19(2,3)4/h6-10,14,16,20H,11-13H2,1-5H3/t14-,16+/m1/s1
InChIKeyHQWIXYKOVATIAJ-ZBFHGGJFSA-N
XLogP2.24
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-3-[(2S)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one
CID 10736439
tert-butyl (4S)-3-[(2S)-2-(benzylamino)-2-phenylacetyl]-1-methyl-2-oxoimidazolidine-4-carboxylate
CID 10949913
tert-butyl (4S)-3-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylate
CID 14801864
tert-butyl (2S)-2-[[(2S)-2-(benzylamino)propanoyl]amino]propanoate
CID 175893228
(4S)-3-[(2S)-2-[[(1R)-1-carboxy-3-phenylpropyl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 13456357
dimethyl 2-[(2S)-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]propanedioate
CID 10504254
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
benzyl (4S)-1-methyl-2-oxo-3-[(2S)-2-[[(2S)-1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl]amino]propanoyl]imidazolidine-4-carboxylate
CID 14801869
(2R)-2-(benzylamino)propanoyl chloride
CID 166639498
tert-butyl 4-[(3-benzyl-1-methyl-2-oxoimidazolidin-4-yl)methyl]benzoate
CID 102384780
benzyl (2S)-2-(benzylamino)propanoate
CID 15488196
tert-butyl 2-[(4-ethylphenyl)methylamino]propanoate
CID 70950358

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2R)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one?
The IUPAC name of (4S)-3-[(2R)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one (CID 10736440) is (4S)-3-[(2R)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one is C[C@@H](NCc1ccccc1)C(=O)N1C(=O)N(C)C[C@H]1COC(C)(C)C.
What is the InChIKey of (4S)-3-[(2R)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one?
The InChIKey is HQWIXYKOVATIAJ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14(20-11-15-9-7-6-8-10-15)17(23)22-16(12-21(5)18(22)24)13-25-19(2,3)4/h6-10,14,16,20H,11-13H2,1-5H3/t14-,16+/m1/s1.
What are the key properties of (4S)-3-[(2R)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one?
(4S)-3-[(2R)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one has a molecular weight of 347.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one is sourced from PubChem (CID 10736440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).