tert-butyl-[2-(methylamino)ethyl]carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride

C10H20ClF3N2O4 — CID 89155374

IUPACtert-butyl-[2-(methylamino)ethyl]carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride
SMILESCNCCN(C(=O)O)C(C)(C)C.Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C8H18N2O2.C2HF3O2.ClH/c1-8(2,3)10(7(11)12)6-5-9-4;3-2(4,5)1(6)7;/h9H,5-6H2,1-4H3,(H,11,12);(H,6,7);1H
InChIKeyPIUPBCNKMSNRQH-UHFFFAOYSA-N
MW324.73 g/mol
LogP2.04
Rot. Bonds3

About tert-butyl-[2-(methylamino)ethyl]carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride

tert-butyl-[2-(methylamino)ethyl]carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride (PubChem CID 89155374) has the molecular formula C10H20ClF3N2O4 and a molecular weight of 324.73 g/mol. Its IUPAC name is tert-butyl-[2-(methylamino)ethyl]carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride.

Molecular Properties

Compound Nametert-butyl-[2-(methylamino)ethyl]carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride
PubChem CID89155374
Molecular FormulaC10H20ClF3N2O4
Molecular Weight324.73 g/mol
Exact Mass324.11
IUPAC Nametert-butyl-[2-(methylamino)ethyl]carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride
SMILESCNCCN(C(=O)O)C(C)(C)C.Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C8H18N2O2.C2HF3O2.ClH/c1-8(2,3)10(7(11)12)6-5-9-4;3-2(4,5)1(6)7;/h9H,5-6H2,1-4H3,(H,11,12);(H,6,7);1H
InChIKeyPIUPBCNKMSNRQH-UHFFFAOYSA-N
XLogP2.04
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze tert-butyl-[2-(methylamino)ethyl]carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamic acid
CID 53249925
Tert-butyl-[2-(2,2,2-trifluoroethylamino)ethyl]carbamic acid
CID 87189265
1-(1-Amino-2-methylpropan-2-yl)-3-ethylurea;2,2,2-trifluoroacetic acid
CID 87486777
N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide;2,2,2-trifluoroacetic acid
CID 88408812
tert-butyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid;hydrochloride
CID 89157041
2-Aminoethyl(2,2-dimethylpropyl)carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride
CID 90116446
2-[2,2-Dimethylpropanoyl(methyl)amino]ethyl-dimethylazanium;2,2,2-trifluoroacetic acid
CID 157779834
tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;2,2,2-trifluoroacetic acid
CID 174629010
2-amino-N-ethyl-2-methylpropanamide;2,2,2-trifluoroacetic acid
CID 177706580
N-tert-butyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
CID 53249924
2-[[2-(Tert-butylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257636
2-[Tert-butyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
CID 79268960

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(methylamino)ethyl]carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride?
The IUPAC name of tert-butyl-[2-(methylamino)ethyl]carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride (CID 89155374) is tert-butyl-[2-(methylamino)ethyl]carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride.
What is the SMILES notation for tert-butyl-[2-(methylamino)ethyl]carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride?
The canonical SMILES for tert-butyl-[2-(methylamino)ethyl]carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride is CNCCN(C(=O)O)C(C)(C)C.Cl.O=C(O)C(F)(F)F.
What is the InChIKey of tert-butyl-[2-(methylamino)ethyl]carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride?
The InChIKey is PIUPBCNKMSNRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2.C2HF3O2.ClH/c1-8(2,3)10(7(11)12)6-5-9-4;3-2(4,5)1(6)7;/h9H,5-6H2,1-4H3,(H,11,12);(H,6,7);1H.
What are the key properties of tert-butyl-[2-(methylamino)ethyl]carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride?
tert-butyl-[2-(methylamino)ethyl]carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride has a molecular weight of 324.73 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(methylamino)ethyl]carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride is sourced from PubChem (CID 89155374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).