2-(aminomethyl)-2-cyclopropyl-5-fluoropentanoic acid

C9H16FNO2 — CID 106489665

IUPAC2-(aminomethyl)-2-cyclopropyl-5-fluoropentanoic acid
SMILESNCC(CCCF)(C(=O)O)C1CC1
InChIInChI=1S/C9H16FNO2/c10-5-1-4-9(6-11,8(12)13)7-2-3-7/h7H,1-6,11H2,(H,12,13)
InChIKeyLMPQQWZZMJWPTL-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.18
Rot. Bonds6

About 2-(aminomethyl)-2-cyclopropyl-5-fluoropentanoic acid

2-(aminomethyl)-2-cyclopropyl-5-fluoropentanoic acid (PubChem CID 106489665) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 2-(aminomethyl)-2-cyclopropyl-5-fluoropentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-cyclopropyl-5-fluoropentanoic acid
PubChem CID106489665
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name2-(aminomethyl)-2-cyclopropyl-5-fluoropentanoic acid
SMILESNCC(CCCF)(C(=O)O)C1CC1
InChIInChI=1S/C9H16FNO2/c10-5-1-4-9(6-11,8(12)13)7-2-3-7/h7H,1-6,11H2,(H,12,13)
InChIKeyLMPQQWZZMJWPTL-UHFFFAOYSA-N
XLogP1.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-cyclopropyl-5-hydroxypentanoic acid
CID 106489638
2-(aminomethyl)-2-cyclopropyl-8-hydroxyoctanoic acid
CID 107708251
2-(aminomethyl)-2-cyclopropyl-5-methylsulfonylpentanoic acid
CID 106489655
2-(aminomethyl)-2-cycloheptylpentanoic acid
CID 106488140
2-(aminomethyl)-2-cyclopropyl-4-pyridin-3-ylbutanoic acid
CID 106489691
2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoic acid
CID 106489741
3-amino-2-cyclobutyl-2-cyclopropylpropanoic acid
CID 106489641
2-(aminomethyl)-2-cyclopropyl-3-(5-ethylthiophen-2-yl)propanoic acid
CID 106489674
2-(aminomethyl)-2-cyclopropyl-3-(3,4-dimethylphenyl)propanoic acid
CID 106489743
2-(aminomethyl)-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopropylpropanoic acid
CID 106489750
2-(aminomethyl)-2-cyclopropyl-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid
CID 106489673
2-(aminomethyl)-2-cyclopropyl-3-(1-methylpyrazol-4-yl)propanoic acid
CID 106489762

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-cyclopropyl-5-fluoropentanoic acid?
The IUPAC name of 2-(aminomethyl)-2-cyclopropyl-5-fluoropentanoic acid (CID 106489665) is 2-(aminomethyl)-2-cyclopropyl-5-fluoropentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-cyclopropyl-5-fluoropentanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-cyclopropyl-5-fluoropentanoic acid is NCC(CCCF)(C(=O)O)C1CC1.
What is the InChIKey of 2-(aminomethyl)-2-cyclopropyl-5-fluoropentanoic acid?
The InChIKey is LMPQQWZZMJWPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c10-5-1-4-9(6-11,8(12)13)7-2-3-7/h7H,1-6,11H2,(H,12,13).
What are the key properties of 2-(aminomethyl)-2-cyclopropyl-5-fluoropentanoic acid?
2-(aminomethyl)-2-cyclopropyl-5-fluoropentanoic acid has a molecular weight of 189.23 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-cyclopropyl-5-fluoropentanoic acid is sourced from PubChem (CID 106489665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).