2-[4-(ethylamino)piperidin-1-yl]acetic acid

C9H18N2O2 — CID 89173008

IUPAC2-[4-(ethylamino)piperidin-1-yl]acetic acid
SMILESCCNC1CCN(CC(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-2-10-8-3-5-11(6-4-8)7-9(12)13/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyVDZHRJQANCQIGA-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.14
Rot. Bonds4

About 2-[4-(ethylamino)piperidin-1-yl]acetic acid

2-[4-(ethylamino)piperidin-1-yl]acetic acid (PubChem CID 89173008) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[4-(ethylamino)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(ethylamino)piperidin-1-yl]acetic acid
PubChem CID89173008
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-[4-(ethylamino)piperidin-1-yl]acetic acid
SMILESCCNC1CCN(CC(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-2-10-8-3-5-11(6-4-8)7-9(12)13/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyVDZHRJQANCQIGA-UHFFFAOYSA-N
XLogP0.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(ethylamino)piperidin-1-yl]acetic acid (CID 89173008) is 2-[4-(ethylamino)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(ethylamino)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(ethylamino)piperidin-1-yl]acetic acid is CCNC1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-(ethylamino)piperidin-1-yl]acetic acid?
The InChIKey is VDZHRJQANCQIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-10-8-3-5-11(6-4-8)7-9(12)13/h8,10H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-[4-(ethylamino)piperidin-1-yl]acetic acid?
2-[4-(ethylamino)piperidin-1-yl]acetic acid has a molecular weight of 186.25 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)piperidin-1-yl]acetic acid is sourced from PubChem (CID 89173008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).