tert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate

C14H18FNO3 — CID 81004313

IUPACtert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate
SMILESC[C@@H](NC(=O)c1cccc(F)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H18FNO3/c1-9(13(18)19-14(2,3)4)16-12(17)10-6-5-7-11(15)8-10/h5-9H,1-4H3,(H,16,17)/t9-/m1/s1
InChIKeyMHEZLFMFTVHCTO-SECBINFHSA-N
MW267.30 g/mol
LogP2.29
Rot. Bonds3

About tert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate

tert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate (PubChem CID 81004313) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate
PubChem CID81004313
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Nametert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate
SMILESC[C@@H](NC(=O)c1cccc(F)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H18FNO3/c1-9(13(18)19-14(2,3)4)16-12(17)10-6-5-7-11(15)8-10/h5-9H,1-4H3,(H,16,17)/t9-/m1/s1
InChIKeyMHEZLFMFTVHCTO-SECBINFHSA-N
XLogP2.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-[(3-fluorobenzoyl)amino]-3-methylbutanoate
CID 80702490
tert-butyl (2R)-2-benzamidopropanoate
CID 81004223
tert-butyl (2R)-2-[(3-fluoro-5-methylbenzoyl)amino]propanoate
CID 103774608
tert-butyl (2R)-2-[[3-(dimethylamino)benzoyl]amino]propanoate
CID 81028212
propyl (2S)-2-[(3-fluorobenzoyl)amino]propanoate
CID 20836849
propyl 2-[(3-fluorobenzoyl)amino]propanoate
CID 6422568
tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate
CID 81435817
tert-butyl (2R)-2-[(4-bromo-3-fluorobenzoyl)amino]propanoate
CID 81003599
tert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
CID 80998584
pentyl (2S)-2-[(3-fluorobenzoyl)amino]propanoate
CID 20836852
tert-butyl (2S)-2-[(3,4-dihydroxybenzoyl)amino]propanoate
CID 103957625
tert-butyl (2R)-2-[(5-fluoro-2-methylbenzoyl)amino]propanoate
CID 81003388

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate (CID 81004313) is tert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate is C[C@@H](NC(=O)c1cccc(F)c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate?
The InChIKey is MHEZLFMFTVHCTO-SECBINFHSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9(13(18)19-14(2,3)4)16-12(17)10-6-5-7-11(15)8-10/h5-9H,1-4H3,(H,16,17)/t9-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate?
tert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate has a molecular weight of 267.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate is sourced from PubChem (CID 81004313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).