[(2R)-1-(benzylamino)-3-(difluoromethoxy)-1-oxopropan-2-yl]-tert-butylcarbamic acid

C16H22F2N2O4 — CID 23648565

IUPAC[(2R)-1-(benzylamino)-3-(difluoromethoxy)-1-oxopropan-2-yl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@H](COC(F)F)C(=O)NCc1ccccc1
InChIInChI=1S/C16H22F2N2O4/c1-16(2,3)20(15(22)23)12(10-24-14(17)18)13(21)19-9-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3,(H,19,21)(H,22,23)/t12-/m1/s1
InChIKeyBWZHBAYEJYLAEG-GFCCVEGCSA-N
MW344.36 g/mol
LogP2.69
Rot. Bonds7

About [(2R)-1-(benzylamino)-3-(difluoromethoxy)-1-oxopropan-2-yl]-tert-butylcarbamic acid

[(2R)-1-(benzylamino)-3-(difluoromethoxy)-1-oxopropan-2-yl]-tert-butylcarbamic acid (PubChem CID 23648565) has the molecular formula C16H22F2N2O4 and a molecular weight of 344.36 g/mol. Its IUPAC name is [(2R)-1-(benzylamino)-3-(difluoromethoxy)-1-oxopropan-2-yl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[(2R)-1-(benzylamino)-3-(difluoromethoxy)-1-oxopropan-2-yl]-tert-butylcarbamic acid
PubChem CID23648565
Molecular FormulaC16H22F2N2O4
Molecular Weight344.36 g/mol
Exact Mass344.15
IUPAC Name[(2R)-1-(benzylamino)-3-(difluoromethoxy)-1-oxopropan-2-yl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@H](COC(F)F)C(=O)NCc1ccccc1
InChIInChI=1S/C16H22F2N2O4/c1-16(2,3)20(15(22)23)12(10-24-14(17)18)13(21)19-9-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3,(H,19,21)(H,22,23)/t12-/m1/s1
InChIKeyBWZHBAYEJYLAEG-GFCCVEGCSA-N
XLogP2.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(benzylamino)-4-methyl-1-oxopentan-2-yl]-tert-butylcarbamic acid
CID 53427567
2-amino-N-benzyl-3-(difluoromethoxy)propanamide
CID 23649017
2-(N-benzylanilino)-3-(difluoromethoxy)-N-(2-phenylethyl)propanamide
CID 174553710
(2S)-2-[acetyl(tert-butyl)amino]-N-benzylpropanamide
CID 70458040
tert-butyl-[(2R)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 68573466
N-benzyl-2-(dibenzylamino)-3-hydroxypropanamide
CID 71091237
tert-butyl-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 67430309
(2R)-N-benzyl-3-methoxy-2-methylpropanamide
CID 12051861
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
N-benzyl-2-(dibenzylamino)-3-hydroxypropanamide;methane
CID 144540822
(2R)-2-amino-3-(difluoromethoxy)-N-(2-phenylethyl)propanamide
CID 174568268
methyl 3-(benzylamino)-2-methoxy-3-oxopropanoate
CID 121013025

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(benzylamino)-3-(difluoromethoxy)-1-oxopropan-2-yl]-tert-butylcarbamic acid?
The IUPAC name of [(2R)-1-(benzylamino)-3-(difluoromethoxy)-1-oxopropan-2-yl]-tert-butylcarbamic acid (CID 23648565) is [(2R)-1-(benzylamino)-3-(difluoromethoxy)-1-oxopropan-2-yl]-tert-butylcarbamic acid.
What is the SMILES notation for [(2R)-1-(benzylamino)-3-(difluoromethoxy)-1-oxopropan-2-yl]-tert-butylcarbamic acid?
The canonical SMILES for [(2R)-1-(benzylamino)-3-(difluoromethoxy)-1-oxopropan-2-yl]-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)[C@H](COC(F)F)C(=O)NCc1ccccc1.
What is the InChIKey of [(2R)-1-(benzylamino)-3-(difluoromethoxy)-1-oxopropan-2-yl]-tert-butylcarbamic acid?
The InChIKey is BWZHBAYEJYLAEG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22F2N2O4/c1-16(2,3)20(15(22)23)12(10-24-14(17)18)13(21)19-9-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3,(H,19,21)(H,22,23)/t12-/m1/s1.
What are the key properties of [(2R)-1-(benzylamino)-3-(difluoromethoxy)-1-oxopropan-2-yl]-tert-butylcarbamic acid?
[(2R)-1-(benzylamino)-3-(difluoromethoxy)-1-oxopropan-2-yl]-tert-butylcarbamic acid has a molecular weight of 344.36 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(benzylamino)-3-(difluoromethoxy)-1-oxopropan-2-yl]-tert-butylcarbamic acid is sourced from PubChem (CID 23648565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).