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

C9H17NO3 — CID 106489638

IUPAC2-(aminomethyl)-2-cyclopropyl-5-hydroxypentanoic acid
SMILESNCC(CCCO)(C(=O)O)C1CC1
InChIInChI=1S/C9H17NO3/c10-6-9(8(12)13,4-1-5-11)7-2-3-7/h7,11H,1-6,10H2,(H,12,13)
InChIKeyFZQMIIBNJKBYLI-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.20
Rot. Bonds6

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

2-(aminomethyl)-2-cyclopropyl-5-hydroxypentanoic acid (PubChem CID 106489638) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(aminomethyl)-2-cyclopropyl-5-hydroxypentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-cyclopropyl-5-hydroxypentanoic acid
PubChem CID106489638
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-(aminomethyl)-2-cyclopropyl-5-hydroxypentanoic acid
SMILESNCC(CCCO)(C(=O)O)C1CC1
InChIInChI=1S/C9H17NO3/c10-6-9(8(12)13,4-1-5-11)7-2-3-7/h7,11H,1-6,10H2,(H,12,13)
InChIKeyFZQMIIBNJKBYLI-UHFFFAOYSA-N
XLogP0.20
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-cyclopropyl-8-hydroxyoctanoic acid
CID 107708251
2-(aminomethyl)-2-cyclopropyl-5-fluoropentanoic acid
CID 106489665
2-(aminomethyl)-2-cyclopropyl-5-methylsulfonylpentanoic acid
CID 106489655
2-(aminomethyl)-2-cycloheptylpentanoic acid
CID 106488140
2-cyclopropyl-7-hydroxy-2-methylheptanoic acid
CID 83148520
2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoic acid
CID 106489741
2-(aminomethyl)-2-cyclopropyl-4-pyridin-3-ylbutanoic acid
CID 106489691
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

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-cyclopropyl-5-hydroxypentanoic acid?
The IUPAC name of 2-(aminomethyl)-2-cyclopropyl-5-hydroxypentanoic acid (CID 106489638) is 2-(aminomethyl)-2-cyclopropyl-5-hydroxypentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-cyclopropyl-5-hydroxypentanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-cyclopropyl-5-hydroxypentanoic acid is NCC(CCCO)(C(=O)O)C1CC1.
What is the InChIKey of 2-(aminomethyl)-2-cyclopropyl-5-hydroxypentanoic acid?
The InChIKey is FZQMIIBNJKBYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c10-6-9(8(12)13,4-1-5-11)7-2-3-7/h7,11H,1-6,10H2,(H,12,13).
What are the key properties of 2-(aminomethyl)-2-cyclopropyl-5-hydroxypentanoic acid?
2-(aminomethyl)-2-cyclopropyl-5-hydroxypentanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-cyclopropyl-5-hydroxypentanoic acid is sourced from PubChem (CID 106489638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).