2-(piperidin-3-ylamino)acetic acid

C7H14N2O2 — CID 54072964

IUPAC2-(piperidin-3-ylamino)acetic acid
SMILESO=C(O)CNC1CCCNC1
InChIInChI=1S/C7H14N2O2/c10-7(11)5-9-6-2-1-3-8-4-6/h6,8-9H,1-5H2,(H,10,11)
InChIKeyMHTJTHFXEYKEBO-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.59
Rot. Bonds3

About 2-(piperidin-3-ylamino)acetic acid

2-(piperidin-3-ylamino)acetic acid (PubChem CID 54072964) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(piperidin-3-ylamino)acetic acid.

Molecular Properties

Compound Name2-(piperidin-3-ylamino)acetic acid
PubChem CID54072964
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-(piperidin-3-ylamino)acetic acid
SMILESO=C(O)CNC1CCCNC1
InChIInChI=1S/C7H14N2O2/c10-7(11)5-9-6-2-1-3-8-4-6/h6,8-9H,1-5H2,(H,10,11)
InChIKeyMHTJTHFXEYKEBO-UHFFFAOYSA-N
XLogP-0.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylamino)acetic acid?
The IUPAC name of 2-(piperidin-3-ylamino)acetic acid (CID 54072964) is 2-(piperidin-3-ylamino)acetic acid.
What is the SMILES notation for 2-(piperidin-3-ylamino)acetic acid?
The canonical SMILES for 2-(piperidin-3-ylamino)acetic acid is O=C(O)CNC1CCCNC1.
What is the InChIKey of 2-(piperidin-3-ylamino)acetic acid?
The InChIKey is MHTJTHFXEYKEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c10-7(11)5-9-6-2-1-3-8-4-6/h6,8-9H,1-5H2,(H,10,11).
What are the key properties of 2-(piperidin-3-ylamino)acetic acid?
2-(piperidin-3-ylamino)acetic acid has a molecular weight of 158.20 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylamino)acetic acid is sourced from PubChem (CID 54072964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).