2-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoic acid

C11H21NO5 — CID 155121011

IUPAC2-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoic acid
SMILESCC(COCCNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO5/c1-8(9(13)14)7-16-6-5-12-10(15)17-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyICMIVXBWIIHEGQ-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.25
Rot. Bonds6

About 2-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoic acid

2-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoic acid (PubChem CID 155121011) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoic acid
PubChem CID155121011
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name2-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoic acid
SMILESCC(COCCNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO5/c1-8(9(13)14)7-16-6-5-12-10(15)17-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyICMIVXBWIIHEGQ-UHFFFAOYSA-N
XLogP1.25
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate
CID 163823990
ethane;(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 158437158
2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid
CID 166714895
3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 150014551
2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoic acid
CID 121437627
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 11660330
ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid
CID 142814707
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 51341057
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 75534948
tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate
CID 157037033
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoic acid?
The IUPAC name of 2-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoic acid (CID 155121011) is 2-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoic acid.
What is the SMILES notation for 2-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoic acid?
The canonical SMILES for 2-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoic acid is CC(COCCNC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 2-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoic acid?
The InChIKey is ICMIVXBWIIHEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-8(9(13)14)7-16-6-5-12-10(15)17-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14).
What are the key properties of 2-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoic acid?
2-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoic acid has a molecular weight of 247.29 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoic acid is sourced from PubChem (CID 155121011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).