(4-amino-1-bicyclo[2.2.1]heptanyl)-tert-butylcarbamic acid

C12H22N2O2 — CID 155059785

IUPAC(4-amino-1-bicyclo[2.2.1]heptanyl)-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)C12CCC(N)(CC1)C2
InChIInChI=1S/C12H22N2O2/c1-10(2,3)14(9(15)16)12-6-4-11(13,8-12)5-7-12/h4-8,13H2,1-3H3,(H,15,16)
InChIKeyLHTDHWLJULSBRG-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.18
Rot. Bonds1

About (4-amino-1-bicyclo[2.2.1]heptanyl)-tert-butylcarbamic acid

(4-amino-1-bicyclo[2.2.1]heptanyl)-tert-butylcarbamic acid (PubChem CID 155059785) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (4-amino-1-bicyclo[2.2.1]heptanyl)-tert-butylcarbamic acid.

Molecular Properties

Compound Name(4-amino-1-bicyclo[2.2.1]heptanyl)-tert-butylcarbamic acid
PubChem CID155059785
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(4-amino-1-bicyclo[2.2.1]heptanyl)-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)C12CCC(N)(CC1)C2
InChIInChI=1S/C12H22N2O2/c1-10(2,3)14(9(15)16)12-6-4-11(13,8-12)5-7-12/h4-8,13H2,1-3H3,(H,15,16)
InChIKeyLHTDHWLJULSBRG-UHFFFAOYSA-N
XLogP2.18
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid
CID 162367822
[(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid
CID 155092848
tert-butyl-(3-hydroxy-5,7-dimethyl-1-adamantyl)carbamic acid
CID 57465640
(4-amino-1-methylcyclohexyl)-tert-butylcarbamic acid
CID 66642887
4-aminobicyclo[2.2.1]heptane-1-carboxylic acid
CID 45084820
tert-butyl-[1-(2-hydroxypropan-2-yl)cyclopentyl]carbamic acid
CID 67273047
tert-butyl-[(1S,2S)-1-ethenyl-2-methylcyclopropyl]carbamic acid
CID 45091892
tert-butyl-[1-(2,2-difluoroethylcarbamoyl)cyclopropyl]carbamic acid
CID 90218953
tert-butyl N-(4-amino-1-bicyclo[2.2.1]heptanyl)carbamate;hydrochloride
CID 134819026
3-[(1-aminocyclopropanecarbonyl)-tert-butylamino]propanoic acid
CID 65464697
tert-butyl N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]carbamate
CID 95396658
tert-butyl-(1-chlorocyclopropyl)sulfonylcarbamic acid
CID 118044579

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-bicyclo[2.2.1]heptanyl)-tert-butylcarbamic acid?
The IUPAC name of (4-amino-1-bicyclo[2.2.1]heptanyl)-tert-butylcarbamic acid (CID 155059785) is (4-amino-1-bicyclo[2.2.1]heptanyl)-tert-butylcarbamic acid.
What is the SMILES notation for (4-amino-1-bicyclo[2.2.1]heptanyl)-tert-butylcarbamic acid?
The canonical SMILES for (4-amino-1-bicyclo[2.2.1]heptanyl)-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)C12CCC(N)(CC1)C2.
What is the InChIKey of (4-amino-1-bicyclo[2.2.1]heptanyl)-tert-butylcarbamic acid?
The InChIKey is LHTDHWLJULSBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(2,3)14(9(15)16)12-6-4-11(13,8-12)5-7-12/h4-8,13H2,1-3H3,(H,15,16).
What are the key properties of (4-amino-1-bicyclo[2.2.1]heptanyl)-tert-butylcarbamic acid?
(4-amino-1-bicyclo[2.2.1]heptanyl)-tert-butylcarbamic acid has a molecular weight of 226.32 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-bicyclo[2.2.1]heptanyl)-tert-butylcarbamic acid is sourced from PubChem (CID 155059785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).