tritio N-butan-2-ylcarbamate

C5H11NO2 — CID 58226251

IUPACtritio N-butan-2-ylcarbamate
SMILES[3H]OC(=O)NC(C)CC
InChIInChI=1S/C5H11NO2/c1-3-4(2)6-5(7)8/h4,6H,3H2,1-2H3,(H,7,8)/i/hT
InChIKeyQCIGLPLDNRDLQQ-MNYXATJNSA-N
MW119.16 g/mol
LogP1.05
Rot. Bonds2

About tritio N-butan-2-ylcarbamate

tritio N-butan-2-ylcarbamate (PubChem CID 58226251) has the molecular formula C5H11NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is tritio N-butan-2-ylcarbamate.

Molecular Properties

Compound Nametritio N-butan-2-ylcarbamate
PubChem CID58226251
Molecular FormulaC5H11NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Nametritio N-butan-2-ylcarbamate
SMILES[3H]OC(=O)NC(C)CC
InChIInChI=1S/C5H11NO2/c1-3-4(2)6-5(7)8/h4,6H,3H2,1-2H3,(H,7,8)/i/hT
InChIKeyQCIGLPLDNRDLQQ-MNYXATJNSA-N
XLogP1.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Isobutylcarbamic acid
CID 275698
CID 5247103
CID 5247103
N-Hexylcarbamic acid
CID 14741611
Isopropylcarbamic acid
CID 504238
N-Isopropylcarbamate
CID 9543087
Carbamic acid, cyclopropyl-
CID 21412469
Methyl sec-butylcarbamate
CID 38214
Propylcarbamic acid
CID 14201686
Methyl isopropylcarbamate
CID 568334
Methyl cyclopropylcarbamate
CID 3526102
[(2~{R})-1-azanylpropan-2-yl]carbamic acid
CID 87166072
[(2~{S})-2-azanylpropyl]carbamic acid
CID 87683504

Frequently Asked Questions

What is the IUPAC name of tritio N-butan-2-ylcarbamate?
The IUPAC name of tritio N-butan-2-ylcarbamate (CID 58226251) is tritio N-butan-2-ylcarbamate.
What is the SMILES notation for tritio N-butan-2-ylcarbamate?
The canonical SMILES for tritio N-butan-2-ylcarbamate is [3H]OC(=O)NC(C)CC.
What is the InChIKey of tritio N-butan-2-ylcarbamate?
The InChIKey is QCIGLPLDNRDLQQ-MNYXATJNSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3-4(2)6-5(7)8/h4,6H,3H2,1-2H3,(H,7,8)/i/hT.
What are the key properties of tritio N-butan-2-ylcarbamate?
tritio N-butan-2-ylcarbamate has a molecular weight of 119.16 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tritio N-butan-2-ylcarbamate is sourced from PubChem (CID 58226251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).