[(2R)-2-amino-2-(4-fluorophenyl)ethyl]-tert-butylcarbamic acid

C13H19FN2O2 — CID 68602940

IUPAC[(2R)-2-amino-2-(4-fluorophenyl)ethyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C[C@H](N)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C13H19FN2O2/c1-13(2,3)16(12(17)18)8-11(15)9-4-6-10(14)7-5-9/h4-7,11H,8,15H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyDALMHTOMYZFRBO-NSHDSACASA-N
MW254.31 g/mol
LogP2.60
Rot. Bonds3

About [(2R)-2-amino-2-(4-fluorophenyl)ethyl]-tert-butylcarbamic acid

[(2R)-2-amino-2-(4-fluorophenyl)ethyl]-tert-butylcarbamic acid (PubChem CID 68602940) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is [(2R)-2-amino-2-(4-fluorophenyl)ethyl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[(2R)-2-amino-2-(4-fluorophenyl)ethyl]-tert-butylcarbamic acid
PubChem CID68602940
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name[(2R)-2-amino-2-(4-fluorophenyl)ethyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C[C@H](N)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C13H19FN2O2/c1-13(2,3)16(12(17)18)8-11(15)9-4-6-10(14)7-5-9/h4-7,11H,8,15H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyDALMHTOMYZFRBO-NSHDSACASA-N
XLogP2.60
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl-[2-(1,3-dioxoisoindol-2-yl)-2-(4-fluorophenyl)ethyl]carbamic acid
CID 90232341
[2-amino-2-(3-methoxyphenyl)ethyl]-tert-butylcarbamic acid
CID 89499594
[2-amino-2-(2-chlorophenyl)ethyl]-tert-butylcarbamic acid
CID 67066199
1-(4-fluorophenyl)-N'-[(4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519967
N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 18070991
2-amino-2-(4-fluorophenyl)ethanol
CID 14853201
2-amino-2-(4-fluorophenyl)acetic acid;2-amino-2-(4-fluorophenyl)ethanol
CID 158720489
2-(4-bromophenyl)propyl-tert-butylcarbamic acid
CID 22996525
1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 16792617
tert-butyl-[(2S)-2-fluoro-3-hydroxypropyl]carbamic acid
CID 23567967
5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid
CID 62935345
ethyl (3S)-3-amino-3-(4-fluorophenyl)propanoate
CID 723060

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-2-(4-fluorophenyl)ethyl]-tert-butylcarbamic acid?
The IUPAC name of [(2R)-2-amino-2-(4-fluorophenyl)ethyl]-tert-butylcarbamic acid (CID 68602940) is [(2R)-2-amino-2-(4-fluorophenyl)ethyl]-tert-butylcarbamic acid.
What is the SMILES notation for [(2R)-2-amino-2-(4-fluorophenyl)ethyl]-tert-butylcarbamic acid?
The canonical SMILES for [(2R)-2-amino-2-(4-fluorophenyl)ethyl]-tert-butylcarbamic acid is CC(C)(C)N(C[C@H](N)c1ccc(F)cc1)C(=O)O.
What is the InChIKey of [(2R)-2-amino-2-(4-fluorophenyl)ethyl]-tert-butylcarbamic acid?
The InChIKey is DALMHTOMYZFRBO-NSHDSACASA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-13(2,3)16(12(17)18)8-11(15)9-4-6-10(14)7-5-9/h4-7,11H,8,15H2,1-3H3,(H,17,18)/t11-/m0/s1.
What are the key properties of [(2R)-2-amino-2-(4-fluorophenyl)ethyl]-tert-butylcarbamic acid?
[(2R)-2-amino-2-(4-fluorophenyl)ethyl]-tert-butylcarbamic acid has a molecular weight of 254.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-2-(4-fluorophenyl)ethyl]-tert-butylcarbamic acid is sourced from PubChem (CID 68602940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).