2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetic acid

C19H24N2O4 — CID 141070648

IUPAC2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetic acid
SMILESCC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1CC(=O)O
InChIInChI=1S/C19H24N2O4/c1-11(2)7-15-18(24)20-17(19(25)21(15)10-16(22)23)14-8-12-5-3-4-6-13(12)9-14/h3-6,11,14-15,17H,7-10H2,1-2H3,(H,20,24)(H,22,23)/t15-,17-/m1/s1
InChIKeyPYNDXTIPAWIDHX-NVXWUHKLSA-N
MW344.41 g/mol
LogP1.23
Rot. Bonds5

About 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetic acid

2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetic acid (PubChem CID 141070648) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetic acid
PubChem CID141070648
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetic acid
SMILESCC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1CC(=O)O
InChIInChI=1S/C19H24N2O4/c1-11(2)7-15-18(24)20-17(19(25)21(15)10-16(22)23)14-8-12-5-3-4-6-13(12)9-14/h3-6,11,14-15,17H,7-10H2,1-2H3,(H,20,24)(H,22,23)/t15-,17-/m1/s1
InChIKeyPYNDXTIPAWIDHX-NVXWUHKLSA-N
XLogP1.23
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetic acid?
The IUPAC name of 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetic acid (CID 141070648) is 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetic acid?
The canonical SMILES for 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetic acid is CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1CC(=O)O.
What is the InChIKey of 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetic acid?
The InChIKey is PYNDXTIPAWIDHX-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-11(2)7-15-18(24)20-17(19(25)21(15)10-16(22)23)14-8-12-5-3-4-6-13(12)9-14/h3-6,11,14-15,17H,7-10H2,1-2H3,(H,20,24)(H,22,23)/t15-,17-/m1/s1.
What are the key properties of 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetic acid?
2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetic acid has a molecular weight of 344.41 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetic acid is sourced from PubChem (CID 141070648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).