2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid

C10H20FNO2 — CID 106489017

IUPAC2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid
SMILESCC(C)CC(CN)(CCCF)C(=O)O
InChIInChI=1S/C10H20FNO2/c1-8(2)6-10(7-12,9(13)14)4-3-5-11/h8H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyQVNYXWRFFXBVIM-UHFFFAOYSA-N
MW205.27 g/mol
LogP1.81
Rot. Bonds7

About 2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid

2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid (PubChem CID 106489017) has the molecular formula C10H20FNO2 and a molecular weight of 205.27 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid
PubChem CID106489017
Molecular FormulaC10H20FNO2
Molecular Weight205.27 g/mol
Exact Mass205.15
IUPAC Name2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid
SMILESCC(C)CC(CN)(CCCF)C(=O)O
InChIInChI=1S/C10H20FNO2/c1-8(2)6-10(7-12,9(13)14)4-3-5-11/h8H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyQVNYXWRFFXBVIM-UHFFFAOYSA-N
XLogP1.81
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid
CID 106488991
2-(aminomethyl)-2-(2-ethylsulfonylethyl)-4-methylpentanoic acid
CID 106489134
2-(aminomethyl)-2-(2,2-difluoroethyl)-4-methylpentanoic acid
CID 106488966
2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid
CID 106706834
2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-4-methylpentanoic acid
CID 106489052
2-(aminomethyl)-4-methyl-2-(pyrimidin-2-ylmethyl)pentanoic acid
CID 106489036
2-(aminomethyl)-2-octyldecanoic acid
CID 54024199
ethyl 2-(aminomethyl)-2-(3-methoxypropyl)-4-methylpentanoate
CID 106488906
2-amino-2-(aminomethyl)-4-methylpentanoic acid
CID 11019164
2-(aminomethyl)-2,4-dimethylpentanoic acid
CID 106487145
2-(aminomethyl)-3-ethyl-2-(2-methylpropyl)pentanoic acid
CID 106488970
2-(aminomethyl)-3-methyl-2-(2-methylpropyl)pentanoic acid
CID 106489127

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid?
The IUPAC name of 2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid (CID 106489017) is 2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid is CC(C)CC(CN)(CCCF)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid?
The InChIKey is QVNYXWRFFXBVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2/c1-8(2)6-10(7-12,9(13)14)4-3-5-11/h8H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid?
2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid has a molecular weight of 205.27 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid is sourced from PubChem (CID 106489017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).