2-[(1S,2S)-2-aminocyclopropyl]acetic acid

C5H9NO2 — CID 55285850

IUPAC2-[(1S,2S)-2-aminocyclopropyl]acetic acid
SMILESN[C@H]1C[C@H]1CC(=O)O
InChIInChI=1S/C5H9NO2/c6-4-1-3(4)2-5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1
InChIKeyZHRWZBGJTSPCGJ-IMJSIDKUSA-N
MW115.13 g/mol
LogP-0.19
Rot. Bonds2

About 2-[(1S,2S)-2-aminocyclopropyl]acetic acid

2-[(1S,2S)-2-aminocyclopropyl]acetic acid (PubChem CID 55285850) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 2-[(1S,2S)-2-aminocyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,2S)-2-aminocyclopropyl]acetic acid
PubChem CID55285850
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name2-[(1S,2S)-2-aminocyclopropyl]acetic acid
SMILESN[C@H]1C[C@H]1CC(=O)O
InChIInChI=1S/C5H9NO2/c6-4-1-3(4)2-5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1
InChIKeyZHRWZBGJTSPCGJ-IMJSIDKUSA-N
XLogP-0.19
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-aminocyclopropyl]acetic acid?
The IUPAC name of 2-[(1S,2S)-2-aminocyclopropyl]acetic acid (CID 55285850) is 2-[(1S,2S)-2-aminocyclopropyl]acetic acid.
What is the SMILES notation for 2-[(1S,2S)-2-aminocyclopropyl]acetic acid?
The canonical SMILES for 2-[(1S,2S)-2-aminocyclopropyl]acetic acid is N[C@H]1C[C@H]1CC(=O)O.
What is the InChIKey of 2-[(1S,2S)-2-aminocyclopropyl]acetic acid?
The InChIKey is ZHRWZBGJTSPCGJ-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H9NO2/c6-4-1-3(4)2-5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-aminocyclopropyl]acetic acid?
2-[(1S,2S)-2-aminocyclopropyl]acetic acid has a molecular weight of 115.13 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-aminocyclopropyl]acetic acid is sourced from PubChem (CID 55285850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).