(2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid

C11H12FNO4 — CID 81283790

IUPAC(2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
SMILESCOc1cc(C(=O)N[C@H](C)C(=O)O)ccc1F
InChIInChI=1S/C11H12FNO4/c1-6(11(15)16)13-10(14)7-3-4-8(12)9(5-7)17-2/h3-6H,1-2H3,(H,13,14)(H,15,16)/t6-/m1/s1
InChIKeySBVIBNFADIOJRZ-ZCFIWIBFSA-N
MW241.22 g/mol
LogP1.04
Rot. Bonds4

About (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid

(2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid (PubChem CID 81283790) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
PubChem CID81283790
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name(2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
SMILESCOc1cc(C(=O)N[C@H](C)C(=O)O)ccc1F
InChIInChI=1S/C11H12FNO4/c1-6(11(15)16)13-10(14)7-3-4-8(12)9(5-7)17-2/h3-6H,1-2H3,(H,13,14)(H,15,16)/t6-/m1/s1
InChIKeySBVIBNFADIOJRZ-ZCFIWIBFSA-N
XLogP1.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
CID 81284566
(2S)-2-[(3,4-difluorobenzoyl)amino]propanoic acid
CID 42254634
(2S)-2-[(4-chloro-3-methoxybenzoyl)amino]propanoic acid
CID 120525982
2-[(4-chloro-3-methoxybenzoyl)amino]propanoic acid
CID 120523671
tert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
CID 80998584
N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 81283356
2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid
CID 43092046
(2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]-4-methoxy-4-oxobutanoic acid
CID 81287847
(2R)-2-[[3-methoxy-4-(2-methylpropoxy)benzoyl]amino]propanoic acid
CID 119369773
4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945331
(2S)-4-amino-2-[(4-fluoro-3-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 81282859
2-[(3-methoxy-4-nitrobenzoyl)amino]propanoic acid
CID 83767983

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid (CID 81283790) is (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid is COc1cc(C(=O)N[C@H](C)C(=O)O)ccc1F.
What is the InChIKey of (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid?
The InChIKey is SBVIBNFADIOJRZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H12FNO4/c1-6(11(15)16)13-10(14)7-3-4-8(12)9(5-7)17-2/h3-6H,1-2H3,(H,13,14)(H,15,16)/t6-/m1/s1.
What are the key properties of (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid?
(2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid has a molecular weight of 241.22 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 81283790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).