3-[7-[[(1R,3S)-3-(2-aminoacetyl)cyclopentyl]-(2-cyclopropylethyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

About 3-[7-[[(1R,3S)-3-(2-aminoacetyl)cyclopentyl]-(2-cyclopropylethyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[[(1R,3S)-3-(2-aminoacetyl)cyclopentyl]-(2-cyclopropylethyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 176781317) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 3-[7-[[(1R,3S)-3-(2-aminoacetyl)cyclopentyl]-(2-cyclopropylethyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name	3-[7-[[(1R,3S)-3-(2-aminoacetyl)cyclopentyl]-(2-cyclopropylethyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID	176781317
Molecular Formula	C25H32N4O4
Molecular Weight	452.56 g/mol
Exact Mass	452.24
IUPAC Name	3-[7-[[(1R,3S)-3-(2-aminoacetyl)cyclopentyl]-(2-cyclopropylethyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES	NCC(=O)[C@H]1CC[C@@H](N(CCC2CC2)c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)C1
InChI	InChI=1S/C25H32N4O4/c26-13-22(30)16-6-7-17(12-16)28(11-10-15-4-5-15)20-3-1-2-18-19(20)14-29(25(18)33)21-8-9-23(31)27-24(21)32/h1-3,15-17,21H,4-14,26H2,(H,27,31,32)/t16-,17+,21?/m0/s1
InChIKey	FRIUPCHLJQXQQH-NXRUOVBSSA-N
XLogP	1.75
TPSA	112.81 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[7-[[(1R,3S)-3-(2-aminoacetyl)cyclopentyl]-(2-cyclopropylethyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[7-[[(1R,3S)-3-(2-aminoacetyl)cyclopentyl]-(2-cyclopropylethyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 176781317) is 3-[7-[[(1R,3S)-3-(2-aminoacetyl)cyclopentyl]-(2-cyclopropylethyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[7-[[(1R,3S)-3-(2-aminoacetyl)cyclopentyl]-(2-cyclopropylethyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[7-[[(1R,3S)-3-(2-aminoacetyl)cyclopentyl]-(2-cyclopropylethyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is NCC(=O)[C@H]1CC[C@@H](N(CCC2CC2)c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)C1.

What is the InChIKey of 3-[7-[[(1R,3S)-3-(2-aminoacetyl)cyclopentyl]-(2-cyclopropylethyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is FRIUPCHLJQXQQH-NXRUOVBSSA-N. The full InChI is InChI=1S/C25H32N4O4/c26-13-22(30)16-6-7-17(12-16)28(11-10-15-4-5-15)20-3-1-2-18-19(20)14-29(25(18)33)21-8-9-23(31)27-24(21)32/h1-3,15-17,21H,4-14,26H2,(H,27,31,32)/t16-,17+,21?/m0/s1.

What are the key properties of 3-[7-[[(1R,3S)-3-(2-aminoacetyl)cyclopentyl]-(2-cyclopropylethyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[7-[[(1R,3S)-3-(2-aminoacetyl)cyclopentyl]-(2-cyclopropylethyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 452.56 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[[(1R,3S)-3-(2-aminoacetyl)cyclopentyl]-(2-cyclopropylethyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 176781317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).