tert-butyl-[[1-(methoxymethyl)cyclopentyl]methyl]carbamic acid

C13H25NO3 — CID 175137406

IUPACtert-butyl-[[1-(methoxymethyl)cyclopentyl]methyl]carbamic acid
SMILESCOCC1(CN(C(=O)O)C(C)(C)C)CCCC1
InChIInChI=1S/C13H25NO3/c1-12(2,3)14(11(15)16)9-13(10-17-4)7-5-6-8-13/h5-10H2,1-4H3,(H,15,16)
InChIKeyHMZGAWCLBBPHOS-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.97
Rot. Bonds4

About tert-butyl-[[1-(methoxymethyl)cyclopentyl]methyl]carbamic acid

tert-butyl-[[1-(methoxymethyl)cyclopentyl]methyl]carbamic acid (PubChem CID 175137406) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl-[[1-(methoxymethyl)cyclopentyl]methyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[[1-(methoxymethyl)cyclopentyl]methyl]carbamic acid
PubChem CID175137406
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl-[[1-(methoxymethyl)cyclopentyl]methyl]carbamic acid
SMILESCOCC1(CN(C(=O)O)C(C)(C)C)CCCC1
InChIInChI=1S/C13H25NO3/c1-12(2,3)14(11(15)16)9-13(10-17-4)7-5-6-8-13/h5-10H2,1-4H3,(H,15,16)
InChIKeyHMZGAWCLBBPHOS-UHFFFAOYSA-N
XLogP2.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(methoxymethyl)cyclohexyl]acetic acid
CID 115017080
5-(methoxymethyl)bicyclo[3.1.0]hexane-1-carboxylic acid
CID 14044606
tert-butyl-[[1-[[6-chloro-5-(4-methoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamic acid
CID 87572085
N-[[1-(methoxymethyl)cyclopentyl]methyl]spiro[2.3]hexane-2-carboxamide
CID 122566407
(2R)-N-[[1-(methoxymethyl)cyclopentyl]methyl]spiro[2.3]hexane-2-carboxamide
CID 125443450
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 120887599
benzene;tert-butyl 4-[[cyclopropyl-(2,2,2-trifluoroacetyl)amino]methyl]-4-(methoxymethyl)piperidine-1-carboxylate
CID 144903178
1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea
CID 131892063
cis-(1R,3S)-3-amino-N-[[1-(methoxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 154909398
N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine
CID 103984492
[1-(methoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003085
1-[1-(methoxymethyl)cyclohexyl]propan-1-one
CID 66919838

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[1-(methoxymethyl)cyclopentyl]methyl]carbamic acid?
The IUPAC name of tert-butyl-[[1-(methoxymethyl)cyclopentyl]methyl]carbamic acid (CID 175137406) is tert-butyl-[[1-(methoxymethyl)cyclopentyl]methyl]carbamic acid.
What is the SMILES notation for tert-butyl-[[1-(methoxymethyl)cyclopentyl]methyl]carbamic acid?
The canonical SMILES for tert-butyl-[[1-(methoxymethyl)cyclopentyl]methyl]carbamic acid is COCC1(CN(C(=O)O)C(C)(C)C)CCCC1.
What is the InChIKey of tert-butyl-[[1-(methoxymethyl)cyclopentyl]methyl]carbamic acid?
The InChIKey is HMZGAWCLBBPHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-12(2,3)14(11(15)16)9-13(10-17-4)7-5-6-8-13/h5-10H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl-[[1-(methoxymethyl)cyclopentyl]methyl]carbamic acid?
tert-butyl-[[1-(methoxymethyl)cyclopentyl]methyl]carbamic acid has a molecular weight of 243.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[1-(methoxymethyl)cyclopentyl]methyl]carbamic acid is sourced from PubChem (CID 175137406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).