4-methyl-2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentanecarbonyl]oxypentanoic acid

C18H31NO6 — CID 70146696

IUPAC4-methyl-2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentanecarbonyl]oxypentanoic acid
SMILESCC(C)CC(OC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1)C(=O)O
InChIInChI=1S/C18H31NO6/c1-12(2)10-13(14(20)21)24-15(22)18(8-6-7-9-18)11-19-16(23)25-17(3,4)5/h12-13H,6-11H2,1-5H3,(H,19,23)(H,20,21)
InChIKeyBZINRQYSALIZTB-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.11
Rot. Bonds7

About 4-methyl-2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentanecarbonyl]oxypentanoic acid

4-methyl-2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentanecarbonyl]oxypentanoic acid (PubChem CID 70146696) has the molecular formula C18H31NO6 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-methyl-2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentanecarbonyl]oxypentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentanecarbonyl]oxypentanoic acid
PubChem CID70146696
Molecular FormulaC18H31NO6
Molecular Weight357.45 g/mol
Exact Mass357.22
IUPAC Name4-methyl-2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentanecarbonyl]oxypentanoic acid
SMILESCC(C)CC(OC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1)C(=O)O
InChIInChI=1S/C18H31NO6/c1-12(2)10-13(14(20)21)24-15(22)18(8-6-7-9-18)11-19-16(23)25-17(3,4)5/h12-13H,6-11H2,1-5H3,(H,19,23)(H,20,21)
InChIKeyBZINRQYSALIZTB-UHFFFAOYSA-N
XLogP3.11
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentanecarbonyl]oxypentanoic acid with MolForge

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Related Compounds

ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
CID 119022713
methyl 1-[[[1-[[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexanecarbonyl]amino]methyl]cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 100953803
(2S)-4-methyl-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxypentanoic acid
CID 11089264
methyl 1-[[[1-[[[1-[[[1-[[[1-[[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylate
CID 100993658
(2S)-4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxypentanoic acid
CID 59912082
2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
CID 81165533
tert-butyl N-[[1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentyl]methyl]carbamate
CID 71854978
tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate
CID 121207999
3-ethyl-1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylic acid
CID 165470377
tert-butyl N-[[1-(2-ethylbutylamino)cyclopentyl]methyl]carbamate
CID 107251928
1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 104932953
tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate
CID 119032070

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentanecarbonyl]oxypentanoic acid?
The IUPAC name of 4-methyl-2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentanecarbonyl]oxypentanoic acid (CID 70146696) is 4-methyl-2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentanecarbonyl]oxypentanoic acid.
What is the SMILES notation for 4-methyl-2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentanecarbonyl]oxypentanoic acid?
The canonical SMILES for 4-methyl-2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentanecarbonyl]oxypentanoic acid is CC(C)CC(OC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1)C(=O)O.
What is the InChIKey of 4-methyl-2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentanecarbonyl]oxypentanoic acid?
The InChIKey is BZINRQYSALIZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO6/c1-12(2)10-13(14(20)21)24-15(22)18(8-6-7-9-18)11-19-16(23)25-17(3,4)5/h12-13H,6-11H2,1-5H3,(H,19,23)(H,20,21).
What are the key properties of 4-methyl-2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentanecarbonyl]oxypentanoic acid?
4-methyl-2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentanecarbonyl]oxypentanoic acid has a molecular weight of 357.45 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentanecarbonyl]oxypentanoic acid is sourced from PubChem (CID 70146696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).