4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)heptanoic acid

C18H35NO4 — CID 106489172

IUPAC4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)heptanoic acid
SMILESCCCC(C)CC(CNC(=O)OC(C)(C)C)(CC(C)C)C(=O)O
InChIInChI=1S/C18H35NO4/c1-8-9-14(4)11-18(15(20)21,10-13(2)3)12-19-16(22)23-17(5,6)7/h13-14H,8-12H2,1-7H3,(H,19,22)(H,20,21)
InChIKeyYLGCTKQLOVLXQZ-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.45
Rot. Bonds9

About 4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)heptanoic acid

4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)heptanoic acid (PubChem CID 106489172) has the molecular formula C18H35NO4 and a molecular weight of 329.48 g/mol. Its IUPAC name is 4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)heptanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)heptanoic acid
PubChem CID106489172
Molecular FormulaC18H35NO4
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Name4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)heptanoic acid
SMILESCCCC(C)CC(CNC(=O)OC(C)(C)C)(CC(C)C)C(=O)O
InChIInChI=1S/C18H35NO4/c1-8-9-14(4)11-18(15(20)21,10-13(2)3)12-19-16(22)23-17(5,6)7/h13-14H,8-12H2,1-7H3,(H,19,22)(H,20,21)
InChIKeyYLGCTKQLOVLXQZ-UHFFFAOYSA-N
XLogP4.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)hexanoic acid
CID 106489184
3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)hexanoic acid
CID 107896046
5,5-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylhexanoic acid
CID 106488336
2-(methoxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 106487684
2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 106488784
5,5,5-trifluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylpentanoic acid
CID 106488386
tert-butyl N-[2-(hydroxymethyl)-2-(2-methylpropyl)heptyl]carbamate
CID 106507949
2,2-bis(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106490227
2-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 142350592
tert-butyl N-[2-(2-ethylbutylamino)-2,4-dimethylpentyl]carbamate
CID 107252599
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-methylsulfanyl-2-propylpentanoic acid
CID 106488353
2-(cyclobutylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 106488417

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)heptanoic acid?
The IUPAC name of 4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)heptanoic acid (CID 106489172) is 4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)heptanoic acid.
What is the SMILES notation for 4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)heptanoic acid?
The canonical SMILES for 4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)heptanoic acid is CCCC(C)CC(CNC(=O)OC(C)(C)C)(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)heptanoic acid?
The InChIKey is YLGCTKQLOVLXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO4/c1-8-9-14(4)11-18(15(20)21,10-13(2)3)12-19-16(22)23-17(5,6)7/h13-14H,8-12H2,1-7H3,(H,19,22)(H,20,21).
What are the key properties of 4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)heptanoic acid?
4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)heptanoic acid has a molecular weight of 329.48 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)heptanoic acid is sourced from PubChem (CID 106489172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).