tert-butyl 3-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxymethyl]azetidine-1-carboxylate

About tert-butyl 3-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxymethyl]azetidine-1-carboxylate

tert-butyl 3-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxymethyl]azetidine-1-carboxylate (PubChem CID 164603042) has the molecular formula C23H38N4O7 and a molecular weight of 482.58 g/mol. Its IUPAC name is tert-butyl 3-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxymethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Name	tert-butyl 3-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxymethyl]azetidine-1-carboxylate
PubChem CID	164603042
Molecular Formula	C23H38N4O7
Molecular Weight	482.58 g/mol
Exact Mass	482.27
IUPAC Name	tert-butyl 3-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxymethyl]azetidine-1-carboxylate
SMILES	CC(C)C[C@H](NC(=O)OCC1CN(C(=O)OC(C)(C)C)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O
InChI	InChI=1S/C23H38N4O7/c1-14(2)8-18(20(30)25-17(12-28)9-16-6-7-24-19(16)29)26-21(31)33-13-15-10-27(11-15)22(32)34-23(3,4)5/h12,14-18H,6-11,13H2,1-5H3,(H,24,29)(H,25,30)(H,26,31)/t16-,17+,18+/m1/s1
InChIKey	NBXAVIZDYSIRAK-SQNIBIBYSA-N
XLogP	1.20
TPSA	143.14 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	10
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.58
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxymethyl]azetidine-1-carboxylate?

The IUPAC name of tert-butyl 3-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxymethyl]azetidine-1-carboxylate (CID 164603042) is tert-butyl 3-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxymethyl]azetidine-1-carboxylate.

What is the SMILES notation for tert-butyl 3-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxymethyl]azetidine-1-carboxylate?

The canonical SMILES for tert-butyl 3-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxymethyl]azetidine-1-carboxylate is CC(C)C[C@H](NC(=O)OCC1CN(C(=O)OC(C)(C)C)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O.

What is the InChIKey of tert-butyl 3-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxymethyl]azetidine-1-carboxylate?

The InChIKey is NBXAVIZDYSIRAK-SQNIBIBYSA-N. The full InChI is InChI=1S/C23H38N4O7/c1-14(2)8-18(20(30)25-17(12-28)9-16-6-7-24-19(16)29)26-21(31)33-13-15-10-27(11-15)22(32)34-23(3,4)5/h12,14-18H,6-11,13H2,1-5H3,(H,24,29)(H,25,30)(H,26,31)/t16-,17+,18+/m1/s1.

What are the key properties of tert-butyl 3-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxymethyl]azetidine-1-carboxylate?

tert-butyl 3-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxymethyl]azetidine-1-carboxylate has a molecular weight of 482.58 g/mol, XLogP of 1.20, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxymethyl]azetidine-1-carboxylate is sourced from PubChem (CID 164603042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).