1-[methyl(propan-2-yl)amino]cyclopropane-1-carboxylic acid

C8H15NO2 — CID 58838583

IUPAC1-[methyl(propan-2-yl)amino]cyclopropane-1-carboxylic acid
SMILESCC(C)N(C)C1(C(=O)O)CC1
InChIInChI=1S/C8H15NO2/c1-6(2)9(3)8(4-5-8)7(10)11/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyHRWYFKFAQTUXJA-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.94
Rot. Bonds3

About 1-[methyl(propan-2-yl)amino]cyclopropane-1-carboxylic acid

1-[methyl(propan-2-yl)amino]cyclopropane-1-carboxylic acid (PubChem CID 58838583) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-[methyl(propan-2-yl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(propan-2-yl)amino]cyclopropane-1-carboxylic acid
PubChem CID58838583
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-[methyl(propan-2-yl)amino]cyclopropane-1-carboxylic acid
SMILESCC(C)N(C)C1(C(=O)O)CC1
InChIInChI=1S/C8H15NO2/c1-6(2)9(3)8(4-5-8)7(10)11/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyHRWYFKFAQTUXJA-UHFFFAOYSA-N
XLogP0.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(propan-2-yl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[methyl(propan-2-yl)amino]cyclopropane-1-carboxylic acid (CID 58838583) is 1-[methyl(propan-2-yl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl(propan-2-yl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[methyl(propan-2-yl)amino]cyclopropane-1-carboxylic acid is CC(C)N(C)C1(C(=O)O)CC1.
What is the InChIKey of 1-[methyl(propan-2-yl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is HRWYFKFAQTUXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)9(3)8(4-5-8)7(10)11/h6H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 1-[methyl(propan-2-yl)amino]cyclopropane-1-carboxylic acid?
1-[methyl(propan-2-yl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(propan-2-yl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 58838583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).