methyl 2-amino-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C12H24N2O5 — CID 88647056

IUPACmethyl 2-amino-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCOCCCC(N)(NC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C12H24N2O5/c1-11(2,3)19-10(16)14-12(13,9(15)18-5)7-6-8-17-4/h6-8,13H2,1-5H3,(H,14,16)
InChIKeyZCQBHDVIQYLTMS-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.77
Rot. Bonds6

About methyl 2-amino-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

methyl 2-amino-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 88647056) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is methyl 2-amino-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Namemethyl 2-amino-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID88647056
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Namemethyl 2-amino-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCOCCCC(N)(NC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C12H24N2O5/c1-11(2,3)19-10(16)14-12(13,9(15)18-5)7-6-8-17-4/h6-8,13H2,1-5H3,(H,14,16)
InChIKeyZCQBHDVIQYLTMS-UHFFFAOYSA-N
XLogP0.77
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 88646273
methyl 5-methoxy-2,2-dimethylpentanoate
CID 89066099
methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15853247
tert-butyl N-(3-cyano-1,5-dimethoxypentan-3-yl)carbamate
CID 90052280
tert-butyl (6S)-6,7-diamino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-sulfanylideneheptanoate
CID 87186011
tert-butyl N-[2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170538962
tert-butyl N-[2-(hydroxymethyl)-5-methoxy-2-propylpentyl]carbamate
CID 106507473
tert-butyl N-[2-(hydroxymethyl)-6-methoxy-2-methylhexyl]carbamate
CID 106508788
dimethyl 2-formyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate
CID 142256779
methyl 2-amino-6-(3-methoxypropylsulfanyl)-2-methylhexanoate
CID 55261313
tert-butyl N-(2-methoxyethylamino)carbamate
CID 87253859
5-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 10752948

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of methyl 2-amino-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 88647056) is methyl 2-amino-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for methyl 2-amino-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for methyl 2-amino-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is COCCCC(N)(NC(=O)OC(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-amino-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is ZCQBHDVIQYLTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-11(2,3)19-10(16)14-12(13,9(15)18-5)7-6-8-17-4/h6-8,13H2,1-5H3,(H,14,16).
What are the key properties of methyl 2-amino-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
methyl 2-amino-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 276.33 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 88647056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).