2-(methoxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid

C12H23NO5 — CID 106487684

IUPAC2-(methoxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
SMILESCCC(CNC(=O)OC(C)(C)C)(COC)C(=O)O
InChIInChI=1S/C12H23NO5/c1-6-12(8-17-5,9(14)15)7-13-10(16)18-11(2,3)4/h6-8H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyMNRAFVKTNFCMDO-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.64
Rot. Bonds6

About 2-(methoxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid

2-(methoxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid (PubChem CID 106487684) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
PubChem CID106487684
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Name2-(methoxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
SMILESCCC(CNC(=O)OC(C)(C)C)(COC)C(=O)O
InChIInChI=1S/C12H23NO5/c1-6-12(8-17-5,9(14)15)7-13-10(16)18-11(2,3)4/h6-8H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyMNRAFVKTNFCMDO-UHFFFAOYSA-N
XLogP1.64
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylhexanoic acid
CID 106488336
2,2-bis(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106490227
tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
CID 90843997
5,5,5-trifluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylpentanoic acid
CID 106488386
2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-(methoxymethyl)butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]-2-(methoxymethyl)butanoic acid
CID 162457918
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 106487757
2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 66174172
2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid
CID 106489417
2-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 142350592
2-(cyclopropylmethyl)-6-methoxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]hexanoic acid
CID 106490226
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-methylsulfanyl-2-propylpentanoic acid
CID 106488353
4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)heptanoic acid
CID 106489172

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid?
The IUPAC name of 2-(methoxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid (CID 106487684) is 2-(methoxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid.
What is the SMILES notation for 2-(methoxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid?
The canonical SMILES for 2-(methoxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid is CCC(CNC(=O)OC(C)(C)C)(COC)C(=O)O.
What is the InChIKey of 2-(methoxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid?
The InChIKey is MNRAFVKTNFCMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-6-12(8-17-5,9(14)15)7-13-10(16)18-11(2,3)4/h6-8H2,1-5H3,(H,13,16)(H,14,15).
What are the key properties of 2-(methoxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid?
2-(methoxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid has a molecular weight of 261.32 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid is sourced from PubChem (CID 106487684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).