tert-butyl N-[(2R)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate

C15H30N2O5 — CID 57006797

IUPACtert-butyl N-[(2R)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NCCC[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O5/c1-14(2,3)21-12(19)16-9-7-8-11(10-18)17-13(20)22-15(4,5)6/h11,18H,7-10H2,1-6H3,(H,16,19)(H,17,20)/t11-/m1/s1
InChIKeyNAYWKKFDRQIFRO-LLVKDONJSA-N
MW318.41 g/mol
LogP2.18
Rot. Bonds6

About tert-butyl N-[(2R)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate

tert-butyl N-[(2R)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate (PubChem CID 57006797) has the molecular formula C15H30N2O5 and a molecular weight of 318.41 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
PubChem CID57006797
Molecular FormulaC15H30N2O5
Molecular Weight318.41 g/mol
Exact Mass318.22
IUPAC Nametert-butyl N-[(2R)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NCCC[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O5/c1-14(2,3)21-12(19)16-9-7-8-11(10-18)17-13(20)22-15(4,5)6/h11,18H,7-10H2,1-6H3,(H,16,19)(H,17,20)/t11-/m1/s1
InChIKeyNAYWKKFDRQIFRO-LLVKDONJSA-N
XLogP2.18
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate (CID 57006797) is tert-butyl N-[(2R)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate is CC(C)(C)OC(=O)NCCC[C@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate?
The InChIKey is NAYWKKFDRQIFRO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H30N2O5/c1-14(2,3)21-12(19)16-9-7-8-11(10-18)17-13(20)22-15(4,5)6/h11,18H,7-10H2,1-6H3,(H,16,19)(H,17,20)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate?
tert-butyl N-[(2R)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate has a molecular weight of 318.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate is sourced from PubChem (CID 57006797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).