tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride

C14H29ClN2O4 — CID 56777057

IUPACtert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride
SMILESCC(C)(C)OC(=O)N[C@@H](CCCN)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C14H28N2O4.ClH/c1-13(2,3)19-11(17)10(8-7-9-15)16-12(18)20-14(4,5)6;/h10H,7-9,15H2,1-6H3,(H,16,18);1H/t10-;/m0./s1
InChIKeyQAOZFDDKCLTTAV-PPHPATTJSA-N
MW324.85 g/mol
LogP2.38
Rot. Bonds5

About tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride

tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride (PubChem CID 56777057) has the molecular formula C14H29ClN2O4 and a molecular weight of 324.85 g/mol. Its IUPAC name is tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride
PubChem CID56777057
Molecular FormulaC14H29ClN2O4
Molecular Weight324.85 g/mol
Exact Mass324.18
IUPAC Nametert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride
SMILESCC(C)(C)OC(=O)N[C@@H](CCCN)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C14H28N2O4.ClH/c1-13(2,3)19-11(17)10(8-7-9-15)16-12(18)20-14(4,5)6;/h10H,7-9,15H2,1-6H3,(H,16,18);1H/t10-;/m0./s1
InChIKeyQAOZFDDKCLTTAV-PPHPATTJSA-N
XLogP2.38
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride?
The IUPAC name of tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride (CID 56777057) is tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride.
What is the SMILES notation for tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride?
The canonical SMILES for tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride is CC(C)(C)OC(=O)N[C@@H](CCCN)C(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride?
The InChIKey is QAOZFDDKCLTTAV-PPHPATTJSA-N. The full InChI is InChI=1S/C14H28N2O4.ClH/c1-13(2,3)19-11(17)10(8-7-9-15)16-12(18)20-14(4,5)6;/h10H,7-9,15H2,1-6H3,(H,16,18);1H/t10-;/m0./s1.
What are the key properties of tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride?
tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride is sourced from PubChem (CID 56777057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).