1-(aminomethyl)-2,2-dipropylcyclopropane-1-carboxylic acid

C11H21NO2 — CID 10104216

IUPAC1-(aminomethyl)-2,2-dipropylcyclopropane-1-carboxylic acid
SMILESCCCC1(CCC)CC1(CN)C(=O)O
InChIInChI=1S/C11H21NO2/c1-3-5-10(6-4-2)7-11(10,8-12)9(13)14/h3-8,12H2,1-2H3,(H,13,14)
InChIKeyAKJJFCPNUBGFKX-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.01
Rot. Bonds6

About 1-(aminomethyl)-2,2-dipropylcyclopropane-1-carboxylic acid

1-(aminomethyl)-2,2-dipropylcyclopropane-1-carboxylic acid (PubChem CID 10104216) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(aminomethyl)-2,2-dipropylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(aminomethyl)-2,2-dipropylcyclopropane-1-carboxylic acid
PubChem CID10104216
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(aminomethyl)-2,2-dipropylcyclopropane-1-carboxylic acid
SMILESCCCC1(CCC)CC1(CN)C(=O)O
InChIInChI=1S/C11H21NO2/c1-3-5-10(6-4-2)7-11(10,8-12)9(13)14/h3-8,12H2,1-2H3,(H,13,14)
InChIKeyAKJJFCPNUBGFKX-UHFFFAOYSA-N
XLogP2.01
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2,2-dipropylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-(aminomethyl)-2,2-dipropylcyclopropane-1-carboxylic acid (CID 10104216) is 1-(aminomethyl)-2,2-dipropylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(aminomethyl)-2,2-dipropylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(aminomethyl)-2,2-dipropylcyclopropane-1-carboxylic acid is CCCC1(CCC)CC1(CN)C(=O)O.
What is the InChIKey of 1-(aminomethyl)-2,2-dipropylcyclopropane-1-carboxylic acid?
The InChIKey is AKJJFCPNUBGFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-10(6-4-2)7-11(10,8-12)9(13)14/h3-8,12H2,1-2H3,(H,13,14).
What are the key properties of 1-(aminomethyl)-2,2-dipropylcyclopropane-1-carboxylic acid?
1-(aminomethyl)-2,2-dipropylcyclopropane-1-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2,2-dipropylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 10104216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).