N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-oxoimidazolidine-1-carboxamide

C14H17N3O3 — CID 99873860

IUPACN-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-oxoimidazolidine-1-carboxamide
SMILESO=C1NCCN1C(=O)NC[C@]1(O)CCc2ccccc21
InChIInChI=1S/C14H17N3O3/c18-12-15-7-8-17(12)13(19)16-9-14(20)6-5-10-3-1-2-4-11(10)14/h1-4,20H,5-9H2,(H,15,18)(H,16,19)/t14-/m1/s1
InChIKeyLZSNSLZDJJCZKD-CQSZACIVSA-N
MW275.31 g/mol
LogP0.56
Rot. Bonds2

About N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-oxoimidazolidine-1-carboxamide

N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-oxoimidazolidine-1-carboxamide (PubChem CID 99873860) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-oxoimidazolidine-1-carboxamide
PubChem CID99873860
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-oxoimidazolidine-1-carboxamide
SMILESO=C1NCCN1C(=O)NC[C@]1(O)CCc2ccccc21
InChIInChI=1S/C14H17N3O3/c18-12-15-7-8-17(12)13(19)16-9-14(20)6-5-10-3-1-2-4-11(10)14/h1-4,20H,5-9H2,(H,15,18)(H,16,19)/t14-/m1/s1
InChIKeyLZSNSLZDJJCZKD-CQSZACIVSA-N
XLogP0.56
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-oxoimidazolidine-1-carboxamide (CID 99873860) is N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-oxoimidazolidine-1-carboxamide is O=C1NCCN1C(=O)NC[C@]1(O)CCc2ccccc21.
What is the InChIKey of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-oxoimidazolidine-1-carboxamide?
The InChIKey is LZSNSLZDJJCZKD-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-12-15-7-8-17(12)13(19)16-9-14(20)6-5-10-3-1-2-4-11(10)14/h1-4,20H,5-9H2,(H,15,18)(H,16,19)/t14-/m1/s1.
What are the key properties of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-oxoimidazolidine-1-carboxamide?
N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-oxoimidazolidine-1-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 99873860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).