tert-butyl N-[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate

C14H29N3O4 — CID 11623632

IUPACtert-butyl N-[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](CCN)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H29N3O4/c1-13(2,3)20-11(18)16-9-10(7-8-15)17-12(19)21-14(4,5)6/h10H,7-9,15H2,1-6H3,(H,16,18)(H,17,19)/t10-/m0/s1
InChIKeyYWHRETDXNPAIHE-JTQLQIEISA-N
MW303.40 g/mol
LogP1.75
Rot. Bonds5

About tert-butyl N-[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate

tert-butyl N-[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate (PubChem CID 11623632) has the molecular formula C14H29N3O4 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl N-[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate
PubChem CID11623632
Molecular FormulaC14H29N3O4
Molecular Weight303.40 g/mol
Exact Mass303.22
IUPAC Nametert-butyl N-[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](CCN)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H29N3O4/c1-13(2,3)20-11(18)16-9-10(7-8-15)17-12(19)21-14(4,5)6/h10H,7-9,15H2,1-6H3,(H,16,18)(H,17,19)/t10-/m0/s1
InChIKeyYWHRETDXNPAIHE-JTQLQIEISA-N
XLogP1.75
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate (CID 11623632) is tert-butyl N-[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate is CC(C)(C)OC(=O)NC[C@H](CCN)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate?
The InChIKey is YWHRETDXNPAIHE-JTQLQIEISA-N. The full InChI is InChI=1S/C14H29N3O4/c1-13(2,3)20-11(18)16-9-10(7-8-15)17-12(19)21-14(4,5)6/h10H,7-9,15H2,1-6H3,(H,16,18)(H,17,19)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate?
tert-butyl N-[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate has a molecular weight of 303.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate is sourced from PubChem (CID 11623632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).