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

C19H29N3O3 — CID 10736439

IUPAC(4S)-3-[(2S)-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-/m0/s1
InChIKeyHQWIXYKOVATIAJ-HOCLYGCPSA-N
MW347.46 g/mol
LogP2.24
Rot. Bonds6

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

(4S)-3-[(2S)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one (PubChem CID 10736439) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (4S)-3-[(2S)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one
PubChem CID10736439
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(4S)-3-[(2S)-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-/m0/s1
InChIKeyHQWIXYKOVATIAJ-HOCLYGCPSA-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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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one?
The IUPAC name of (4S)-3-[(2S)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one (CID 10736439) is (4S)-3-[(2S)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2S)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S)-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-[(2S)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one?
The InChIKey is HQWIXYKOVATIAJ-HOCLYGCPSA-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-/m0/s1.
What are the key properties of (4S)-3-[(2S)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one?
(4S)-3-[(2S)-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-[(2S)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one is sourced from PubChem (CID 10736439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).