tert-butyl N-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate

About tert-butyl N-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate

tert-butyl N-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate (PubChem CID 58903990) has the molecular formula C20H39N3O7 and a molecular weight of 433.55 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate.

Molecular Properties

Compound Name	tert-butyl N-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate
PubChem CID	58903990
Molecular Formula	C20H39N3O7
Molecular Weight	433.55 g/mol
Exact Mass	433.28
IUPAC Name	tert-butyl N-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate
SMILES	CC(C)(C)OC(=O)NCCN(C[C@H](CO)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChI	InChI=1S/C20H39N3O7/c1-18(2,3)28-15(25)21-10-11-23(17(27)30-20(7,8)9)12-14(13-24)22-16(26)29-19(4,5)6/h14,24H,10-13H2,1-9H3,(H,21,25)(H,22,26)/t14-/m1/s1
InChIKey	XVTCMHJUZYRTKA-CQSZACIVSA-N
XLogP	2.63
TPSA	126.43 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.55
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate?

The IUPAC name of tert-butyl N-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate (CID 58903990) is tert-butyl N-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate is CC(C)(C)OC(=O)NCCN(C[C@H](CO)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate?

The InChIKey is XVTCMHJUZYRTKA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H39N3O7/c1-18(2,3)28-15(25)21-10-11-23(17(27)30-20(7,8)9)12-14(13-24)22-16(26)29-19(4,5)6/h14,24H,10-13H2,1-9H3,(H,21,25)(H,22,26)/t14-/m1/s1.

What are the key properties of tert-butyl N-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate?

tert-butyl N-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate has a molecular weight of 433.55 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate is sourced from PubChem (CID 58903990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).