2-[3-(cyclopropylamino)piperidin-1-yl]acetic acid

C10H18N2O2 — CID 83991919

IUPAC2-[3-(cyclopropylamino)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCC(NC2CC2)C1
InChIInChI=1S/C10H18N2O2/c13-10(14)7-12-5-1-2-9(6-12)11-8-3-4-8/h8-9,11H,1-7H2,(H,13,14)
InChIKeyZYMPHJIKBHWKRM-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.29
Rot. Bonds4

About 2-[3-(cyclopropylamino)piperidin-1-yl]acetic acid

2-[3-(cyclopropylamino)piperidin-1-yl]acetic acid (PubChem CID 83991919) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)piperidin-1-yl]acetic acid
PubChem CID83991919
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-[3-(cyclopropylamino)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCC(NC2CC2)C1
InChIInChI=1S/C10H18N2O2/c13-10(14)7-12-5-1-2-9(6-12)11-8-3-4-8/h8-9,11H,1-7H2,(H,13,14)
InChIKeyZYMPHJIKBHWKRM-UHFFFAOYSA-N
XLogP0.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylamino)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(cyclopropylamino)piperidin-1-yl]acetic acid (CID 83991919) is 2-[3-(cyclopropylamino)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(cyclopropylamino)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(cyclopropylamino)piperidin-1-yl]acetic acid is O=C(O)CN1CCCC(NC2CC2)C1.
What is the InChIKey of 2-[3-(cyclopropylamino)piperidin-1-yl]acetic acid?
The InChIKey is ZYMPHJIKBHWKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-10(14)7-12-5-1-2-9(6-12)11-8-3-4-8/h8-9,11H,1-7H2,(H,13,14).
What are the key properties of 2-[3-(cyclopropylamino)piperidin-1-yl]acetic acid?
2-[3-(cyclopropylamino)piperidin-1-yl]acetic acid has a molecular weight of 198.27 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylamino)piperidin-1-yl]acetic acid is sourced from PubChem (CID 83991919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).