tert-butyl-[1-(2-hydroxypropan-2-yl)cyclopentyl]carbamic acid

C13H25NO3 — CID 67273047

IUPACtert-butyl-[1-(2-hydroxypropan-2-yl)cyclopentyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1(C(C)(C)O)CCCC1
InChIInChI=1S/C13H25NO3/c1-11(2,3)14(10(15)16)13(12(4,5)17)8-6-7-9-13/h17H,6-9H2,1-5H3,(H,15,16)
InChIKeyVMDIBJAKQBMUSG-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.85
Rot. Bonds2

About tert-butyl-[1-(2-hydroxypropan-2-yl)cyclopentyl]carbamic acid

tert-butyl-[1-(2-hydroxypropan-2-yl)cyclopentyl]carbamic acid (PubChem CID 67273047) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl-[1-(2-hydroxypropan-2-yl)cyclopentyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-(2-hydroxypropan-2-yl)cyclopentyl]carbamic acid
PubChem CID67273047
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl-[1-(2-hydroxypropan-2-yl)cyclopentyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1(C(C)(C)O)CCCC1
InChIInChI=1S/C13H25NO3/c1-11(2,3)14(10(15)16)13(12(4,5)17)8-6-7-9-13/h17H,6-9H2,1-5H3,(H,15,16)
InChIKeyVMDIBJAKQBMUSG-UHFFFAOYSA-N
XLogP2.85
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid
CID 162367822
(4-amino-1-methylcyclohexyl)-tert-butylcarbamic acid
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tert-butyl-(3-hydroxy-5,7-dimethyl-1-adamantyl)carbamic acid
CID 57465640
[(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid
CID 155092848
tert-butyl-[1-(2,2-difluoroethylcarbamoyl)cyclopropyl]carbamic acid
CID 90218953
tert-butyl-[[1-(methoxymethyl)cyclopentyl]methyl]carbamic acid
CID 175137406
2-(1-aminocyclopentyl)propan-2-ol;hydrochloride
CID 67001422
1-(2,2-dimethylpropanoyl)cyclopentane-1-carboxylic acid
CID 170443189
1-(1,1-difluoroethyl)cyclopentane-1-carboxylic acid
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2-(1-hydroxycyclododecyl)-2-methylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(2-hydroxypropan-2-yl)cyclopentyl]carbamic acid?
The IUPAC name of tert-butyl-[1-(2-hydroxypropan-2-yl)cyclopentyl]carbamic acid (CID 67273047) is tert-butyl-[1-(2-hydroxypropan-2-yl)cyclopentyl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-(2-hydroxypropan-2-yl)cyclopentyl]carbamic acid?
The canonical SMILES for tert-butyl-[1-(2-hydroxypropan-2-yl)cyclopentyl]carbamic acid is CC(C)(C)N(C(=O)O)C1(C(C)(C)O)CCCC1.
What is the InChIKey of tert-butyl-[1-(2-hydroxypropan-2-yl)cyclopentyl]carbamic acid?
The InChIKey is VMDIBJAKQBMUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-11(2,3)14(10(15)16)13(12(4,5)17)8-6-7-9-13/h17H,6-9H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl-[1-(2-hydroxypropan-2-yl)cyclopentyl]carbamic acid?
tert-butyl-[1-(2-hydroxypropan-2-yl)cyclopentyl]carbamic acid has a molecular weight of 243.35 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(2-hydroxypropan-2-yl)cyclopentyl]carbamic acid is sourced from PubChem (CID 67273047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).