[1-[(3-methoxyphenyl)methyl]cyclopropyl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate

About [1-[(3-methoxyphenyl)methyl]cyclopropyl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate

[1-[(3-methoxyphenyl)methyl]cyclopropyl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate (PubChem CID 156883646) has the molecular formula C25H35N3O6 and a molecular weight of 473.57 g/mol. Its IUPAC name is [1-[(3-methoxyphenyl)methyl]cyclopropyl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate.

Molecular Properties

Compound Name	[1-[(3-methoxyphenyl)methyl]cyclopropyl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate
PubChem CID	156883646
Molecular Formula	C25H35N3O6
Molecular Weight	473.57 g/mol
Exact Mass	473.25
IUPAC Name	[1-[(3-methoxyphenyl)methyl]cyclopropyl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate
SMILES	COc1cccc(CC2(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)CC2)c1
InChI	InChI=1S/C25H35N3O6/c1-16(2)11-21(23(31)27-19(15-29)13-18-7-10-26-22(18)30)28-24(32)34-25(8-9-25)14-17-5-4-6-20(12-17)33-3/h4-6,12,15-16,18-19,21H,7-11,13-14H2,1-3H3,(H,26,30)(H,27,31)(H,28,32)/t18-,19-,21-/m0/s1
InChIKey	FBEVBWNDUCKKIB-ZJOUEHCJSA-N
XLogP	2.12
TPSA	122.83 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	12
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.57
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methoxyphenyl)methyl]cyclopropyl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate?

The IUPAC name of [1-[(3-methoxyphenyl)methyl]cyclopropyl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate (CID 156883646) is [1-[(3-methoxyphenyl)methyl]cyclopropyl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate.

What is the SMILES notation for [1-[(3-methoxyphenyl)methyl]cyclopropyl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate?

The canonical SMILES for [1-[(3-methoxyphenyl)methyl]cyclopropyl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate is COc1cccc(CC2(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)CC2)c1.

What is the InChIKey of [1-[(3-methoxyphenyl)methyl]cyclopropyl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate?

The InChIKey is FBEVBWNDUCKKIB-ZJOUEHCJSA-N. The full InChI is InChI=1S/C25H35N3O6/c1-16(2)11-21(23(31)27-19(15-29)13-18-7-10-26-22(18)30)28-24(32)34-25(8-9-25)14-17-5-4-6-20(12-17)33-3/h4-6,12,15-16,18-19,21H,7-11,13-14H2,1-3H3,(H,26,30)(H,27,31)(H,28,32)/t18-,19-,21-/m0/s1.

What are the key properties of [1-[(3-methoxyphenyl)methyl]cyclopropyl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate?

[1-[(3-methoxyphenyl)methyl]cyclopropyl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate has a molecular weight of 473.57 g/mol, XLogP of 2.12, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(3-methoxyphenyl)methyl]cyclopropyl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate is sourced from PubChem (CID 156883646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).