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

C11H22N2O4 — CID 88646273

IUPACmethyl 2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCCCC(N)(NC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C11H22N2O4/c1-6-7-11(12,8(14)16-5)13-9(15)17-10(2,3)4/h6-7,12H2,1-5H3,(H,13,15)
InChIKeyLHDDOFWKPPLETA-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.14
Rot. Bonds4

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

methyl 2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 88646273) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID88646273
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Namemethyl 2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCCCC(N)(NC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C11H22N2O4/c1-6-7-11(12,8(14)16-5)13-9(15)17-10(2,3)4/h6-7,12H2,1-5H3,(H,13,15)
InChIKeyLHDDOFWKPPLETA-UHFFFAOYSA-N
XLogP1.14
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 88647056
tert-butyl N-[(2R)-1-amino-2-methylpentan-2-yl]carbamate
CID 129411644
tert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate
CID 151269852
tert-butyl N-(4-methylnonan-4-yl)carbamate
CID 130223651
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 39870673
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid
CID 2762257
methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15853247
3-O-tert-butyl 1-O-methyl 2-hydroxy-2-propylpropanedioate
CID 154080063
methyl (2R)-2-amino-2-methylhexanoate
CID 155453684
tert-butyl (2S)-2-amino-2-hydroxypentanoate
CID 172785158
tert-butyl (6S)-6,7-diamino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-sulfanylideneheptanoate
CID 87186011
tert-butyl N-[(2S)-2-methyl-1-oxohexan-2-yl]carbamate
CID 122599124

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of methyl 2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 88646273) is methyl 2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for methyl 2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for methyl 2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is CCCC(N)(NC(=O)OC(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is LHDDOFWKPPLETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-6-7-11(12,8(14)16-5)13-9(15)17-10(2,3)4/h6-7,12H2,1-5H3,(H,13,15).
What are the key properties of methyl 2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
methyl 2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 246.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 88646273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).