2-[(1R,3S)-3-[(2R)-2-aminopropyl]-2,2-dimethylcyclopropyl]acetic acid

C10H19NO2 — CID 10352389

IUPAC2-[(1R,3S)-3-[(2R)-2-aminopropyl]-2,2-dimethylcyclopropyl]acetic acid
SMILESC[C@@H](N)C[C@H]1[C@@H](CC(=O)O)C1(C)C
InChIInChI=1S/C10H19NO2/c1-6(11)4-7-8(5-9(12)13)10(7,2)3/h6-8H,4-5,11H2,1-3H3,(H,12,13)/t6-,7+,8-/m1/s1
InChIKeyUOCCCZRTZTXEHY-GJMOJQLCSA-N
MW185.27 g/mol
LogP1.47
Rot. Bonds4

About 2-[(1R,3S)-3-[(2R)-2-aminopropyl]-2,2-dimethylcyclopropyl]acetic acid

2-[(1R,3S)-3-[(2R)-2-aminopropyl]-2,2-dimethylcyclopropyl]acetic acid (PubChem CID 10352389) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(1R,3S)-3-[(2R)-2-aminopropyl]-2,2-dimethylcyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,3S)-3-[(2R)-2-aminopropyl]-2,2-dimethylcyclopropyl]acetic acid
PubChem CID10352389
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[(1R,3S)-3-[(2R)-2-aminopropyl]-2,2-dimethylcyclopropyl]acetic acid
SMILESC[C@@H](N)C[C@H]1[C@@H](CC(=O)O)C1(C)C
InChIInChI=1S/C10H19NO2/c1-6(11)4-7-8(5-9(12)13)10(7,2)3/h6-8H,4-5,11H2,1-3H3,(H,12,13)/t6-,7+,8-/m1/s1
InChIKeyUOCCCZRTZTXEHY-GJMOJQLCSA-N
XLogP1.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S)-3-[(2R)-2-aminopropyl]-2,2-dimethylcyclopropyl]acetic acid?
The IUPAC name of 2-[(1R,3S)-3-[(2R)-2-aminopropyl]-2,2-dimethylcyclopropyl]acetic acid (CID 10352389) is 2-[(1R,3S)-3-[(2R)-2-aminopropyl]-2,2-dimethylcyclopropyl]acetic acid.
What is the SMILES notation for 2-[(1R,3S)-3-[(2R)-2-aminopropyl]-2,2-dimethylcyclopropyl]acetic acid?
The canonical SMILES for 2-[(1R,3S)-3-[(2R)-2-aminopropyl]-2,2-dimethylcyclopropyl]acetic acid is C[C@@H](N)C[C@H]1[C@@H](CC(=O)O)C1(C)C.
What is the InChIKey of 2-[(1R,3S)-3-[(2R)-2-aminopropyl]-2,2-dimethylcyclopropyl]acetic acid?
The InChIKey is UOCCCZRTZTXEHY-GJMOJQLCSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6(11)4-7-8(5-9(12)13)10(7,2)3/h6-8H,4-5,11H2,1-3H3,(H,12,13)/t6-,7+,8-/m1/s1.
What are the key properties of 2-[(1R,3S)-3-[(2R)-2-aminopropyl]-2,2-dimethylcyclopropyl]acetic acid?
2-[(1R,3S)-3-[(2R)-2-aminopropyl]-2,2-dimethylcyclopropyl]acetic acid has a molecular weight of 185.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S)-3-[(2R)-2-aminopropyl]-2,2-dimethylcyclopropyl]acetic acid is sourced from PubChem (CID 10352389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).