propan-2-amine;(3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid

C10H21NO2 — CID 54020889

IUPACpropan-2-amine;(3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid
SMILESCC(C)N.C[C@@H]1C(C(=O)O)C1(C)C
InChIInChI=1S/C7H12O2.C3H9N/c1-4-5(6(8)9)7(4,2)3;1-3(2)4/h4-5H,1-3H3,(H,8,9);3H,4H2,1-2H3/t4-,5?;/m1./s1
InChIKeyKYVODVPWYPDRNP-FVYOBFAJSA-N
MW187.28 g/mol
LogP1.72
Rot. Bonds1

About propan-2-amine;(3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid

propan-2-amine;(3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid (PubChem CID 54020889) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is propan-2-amine;(3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namepropan-2-amine;(3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid
PubChem CID54020889
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namepropan-2-amine;(3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid
SMILESCC(C)N.C[C@@H]1C(C(=O)O)C1(C)C
InChIInChI=1S/C7H12O2.C3H9N/c1-4-5(6(8)9)7(4,2)3;1-3(2)4/h4-5H,1-3H3,(H,8,9);3H,4H2,1-2H3/t4-,5?;/m1./s1
InChIKeyKYVODVPWYPDRNP-FVYOBFAJSA-N
XLogP1.72
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-amine;(3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid?
The IUPAC name of propan-2-amine;(3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid (CID 54020889) is propan-2-amine;(3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for propan-2-amine;(3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for propan-2-amine;(3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid is CC(C)N.C[C@@H]1C(C(=O)O)C1(C)C.
What is the InChIKey of propan-2-amine;(3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid?
The InChIKey is KYVODVPWYPDRNP-FVYOBFAJSA-N. The full InChI is InChI=1S/C7H12O2.C3H9N/c1-4-5(6(8)9)7(4,2)3;1-3(2)4/h4-5H,1-3H3,(H,8,9);3H,4H2,1-2H3/t4-,5?;/m1./s1.
What are the key properties of propan-2-amine;(3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid?
propan-2-amine;(3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid has a molecular weight of 187.28 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-amine;(3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 54020889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).