methyl 2-amino-5-(3-fluorophenyl)pentanoate

C12H16FNO2 — CID 116851642

IUPACmethyl 2-amino-5-(3-fluorophenyl)pentanoate
SMILESCOC(=O)C(N)CCCc1cccc(F)c1
InChIInChI=1S/C12H16FNO2/c1-16-12(15)11(14)7-3-5-9-4-2-6-10(13)8-9/h2,4,6,8,11H,3,5,7,14H2,1H3
InChIKeyQMZKSBIYSXNPOG-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.65
Rot. Bonds5

About methyl 2-amino-5-(3-fluorophenyl)pentanoate

methyl 2-amino-5-(3-fluorophenyl)pentanoate (PubChem CID 116851642) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is methyl 2-amino-5-(3-fluorophenyl)pentanoate.

Molecular Properties

Compound Namemethyl 2-amino-5-(3-fluorophenyl)pentanoate
PubChem CID116851642
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Namemethyl 2-amino-5-(3-fluorophenyl)pentanoate
SMILESCOC(=O)C(N)CCCc1cccc(F)c1
InChIInChI=1S/C12H16FNO2/c1-16-12(15)11(14)7-3-5-9-4-2-6-10(13)8-9/h2,4,6,8,11H,3,5,7,14H2,1H3
InChIKeyQMZKSBIYSXNPOG-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride
CID 137346959
methyl 2-amino-6-phenylhexanoate
CID 76830671
methyl 2-amino-4-(3-methylphenyl)butanoate
CID 116851529
methyl 2-amino-5-pyridin-4-ylpentanoate
CID 116851646
6-(3-fluorophenyl)hexan-3-ol
CID 64515590
[(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium
CID 7020806
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
2-[(2-aminoacetyl)amino]-5-(3-fluorophenyl)pentanoic acid
CID 155171157
methyl 3-[(4S)-4,5-diamino-5-oxopentyl]benzoate;hydrochloride
CID 69266366
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119273296
2-[(2-amino-2-methylpropanoyl)amino]-5-(3-fluorophenyl)pentanoic acid
CID 155171209

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(3-fluorophenyl)pentanoate?
The IUPAC name of methyl 2-amino-5-(3-fluorophenyl)pentanoate (CID 116851642) is methyl 2-amino-5-(3-fluorophenyl)pentanoate.
What is the SMILES notation for methyl 2-amino-5-(3-fluorophenyl)pentanoate?
The canonical SMILES for methyl 2-amino-5-(3-fluorophenyl)pentanoate is COC(=O)C(N)CCCc1cccc(F)c1.
What is the InChIKey of methyl 2-amino-5-(3-fluorophenyl)pentanoate?
The InChIKey is QMZKSBIYSXNPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-16-12(15)11(14)7-3-5-9-4-2-6-10(13)8-9/h2,4,6,8,11H,3,5,7,14H2,1H3.
What are the key properties of methyl 2-amino-5-(3-fluorophenyl)pentanoate?
methyl 2-amino-5-(3-fluorophenyl)pentanoate has a molecular weight of 225.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(3-fluorophenyl)pentanoate is sourced from PubChem (CID 116851642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).