(2-fluorophenyl)methyl (2S)-2-aminopentanoate

C12H16FNO2 — CID 107565767

IUPAC(2-fluorophenyl)methyl (2S)-2-aminopentanoate
SMILESCCC[C@H](N)C(=O)OCc1ccccc1F
InChIInChI=1S/C12H16FNO2/c1-2-5-11(14)12(15)16-8-9-6-3-4-7-10(9)13/h3-4,6-7,11H,2,5,8,14H2,1H3/t11-/m0/s1
InChIKeyMYPNKLZSBOJRKP-NSHDSACASA-N
MW225.26 g/mol
LogP2.00
Rot. Bonds5

About (2-fluorophenyl)methyl (2S)-2-aminopentanoate

(2-fluorophenyl)methyl (2S)-2-aminopentanoate (PubChem CID 107565767) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is (2-fluorophenyl)methyl (2S)-2-aminopentanoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl (2S)-2-aminopentanoate
PubChem CID107565767
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name(2-fluorophenyl)methyl (2S)-2-aminopentanoate
SMILESCCC[C@H](N)C(=O)OCc1ccccc1F
InChIInChI=1S/C12H16FNO2/c1-2-5-11(14)12(15)16-8-9-6-3-4-7-10(9)13/h3-4,6-7,11H,2,5,8,14H2,1H3/t11-/m0/s1
InChIKeyMYPNKLZSBOJRKP-NSHDSACASA-N
XLogP2.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)methyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909728
(2-fluorophenyl)methyl (2S)-2-amino-4-phenylbutanoate
CID 104983552
2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide
CID 43650342
(2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate
CID 107837622
4-[(2-fluorophenyl)methoxy]-2,3-dihydroxy-4-oxobutanoic acid
CID 150795709
2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate
CID 175695991
ethyl 2-amino-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate
CID 170885350
(4-chlorophenyl)methyl 2-aminopentanoate
CID 65126938
(2-fluorophenyl)methyl 5-aminohexanoate
CID 82847460
2-amino-1-(2-fluorophenyl)pentan-3-one
CID 77428239
3-(aminomethyl)-1-(2-fluorophenyl)hexan-2-one
CID 116574562
(2-fluorophenyl)methyl 3-amino-3-phenylpropanoate
CID 63933223

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl (2S)-2-aminopentanoate?
The IUPAC name of (2-fluorophenyl)methyl (2S)-2-aminopentanoate (CID 107565767) is (2-fluorophenyl)methyl (2S)-2-aminopentanoate.
What is the SMILES notation for (2-fluorophenyl)methyl (2S)-2-aminopentanoate?
The canonical SMILES for (2-fluorophenyl)methyl (2S)-2-aminopentanoate is CCC[C@H](N)C(=O)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl (2S)-2-aminopentanoate?
The InChIKey is MYPNKLZSBOJRKP-NSHDSACASA-N. The full InChI is InChI=1S/C12H16FNO2/c1-2-5-11(14)12(15)16-8-9-6-3-4-7-10(9)13/h3-4,6-7,11H,2,5,8,14H2,1H3/t11-/m0/s1.
What are the key properties of (2-fluorophenyl)methyl (2S)-2-aminopentanoate?
(2-fluorophenyl)methyl (2S)-2-aminopentanoate has a molecular weight of 225.26 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl (2S)-2-aminopentanoate is sourced from PubChem (CID 107565767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).