2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid

C15H18N2O4 — CID 59370448

IUPAC2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid
SMILESCC(C)N1C(=O)C[C@@H](c2ccccc2)N(CC(=O)O)C1=O
InChIInChI=1S/C15H18N2O4/c1-10(2)17-13(18)8-12(11-6-4-3-5-7-11)16(15(17)21)9-14(19)20/h3-7,10,12H,8-9H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyOBGNSWQCSBRDMT-LBPRGKRZSA-N
MW290.32 g/mol
LogP1.88
Rot. Bonds4

About 2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid

2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid (PubChem CID 59370448) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid
PubChem CID59370448
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid
SMILESCC(C)N1C(=O)C[C@@H](c2ccccc2)N(CC(=O)O)C1=O
InChIInChI=1S/C15H18N2O4/c1-10(2)17-13(18)8-12(11-6-4-3-5-7-11)16(15(17)21)9-14(19)20/h3-7,10,12H,8-9H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyOBGNSWQCSBRDMT-LBPRGKRZSA-N
XLogP1.88
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid?
The IUPAC name of 2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid (CID 59370448) is 2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid.
What is the SMILES notation for 2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid?
The canonical SMILES for 2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid is CC(C)N1C(=O)C[C@@H](c2ccccc2)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid?
The InChIKey is OBGNSWQCSBRDMT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(2)17-13(18)8-12(11-6-4-3-5-7-11)16(15(17)21)9-14(19)20/h3-7,10,12H,8-9H2,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid?
2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid is sourced from PubChem (CID 59370448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).