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

C11H23ClN2O4 — CID 56777383

IUPACmethyl (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)CCCNC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C11H22N2O4.ClH/c1-11(2,3)17-10(15)13-7-5-6-8(12)9(14)16-4;/h8H,5-7,12H2,1-4H3,(H,13,15);1H/t8-;/m0./s1
InChIKeyPDTVFHJMWNCIRB-QRPNPIFTSA-N
MW282.77 g/mol
LogP1.21
Rot. Bonds5

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

methyl (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride (PubChem CID 56777383) has the molecular formula C11H23ClN2O4 and a molecular weight of 282.77 g/mol. Its IUPAC name is methyl (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride
PubChem CID56777383
Molecular FormulaC11H23ClN2O4
Molecular Weight282.77 g/mol
Exact Mass282.13
IUPAC Namemethyl (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)CCCNC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C11H22N2O4.ClH/c1-11(2,3)17-10(15)13-7-5-6-8(12)9(14)16-4;/h8H,5-7,12H2,1-4H3,(H,13,15);1H/t8-;/m0./s1
InChIKeyPDTVFHJMWNCIRB-QRPNPIFTSA-N
XLogP1.21
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.21
H-Bond Donors ≤ 52
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 methyl (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride (CID 56777383) is methyl (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride is COC(=O)[C@@H](N)CCCNC(=O)OC(C)(C)C.Cl.
What is the InChIKey of methyl (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride?
The InChIKey is PDTVFHJMWNCIRB-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H22N2O4.ClH/c1-11(2,3)17-10(15)13-7-5-6-8(12)9(14)16-4;/h8H,5-7,12H2,1-4H3,(H,13,15);1H/t8-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride?
methyl (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride is sourced from PubChem (CID 56777383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).