2-amino-4-piperidin-1-ylbutanoic acid

C9H18N2O2 — CID 63029749

IUPAC2-amino-4-piperidin-1-ylbutanoic acid
SMILESNC(CCN1CCCCC1)C(=O)O
InChIInChI=1S/C9H18N2O2/c10-8(9(12)13)4-7-11-5-2-1-3-6-11/h8H,1-7,10H2,(H,12,13)
InChIKeyNVLNNZDSBOXDKB-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.27
Rot. Bonds4

About 2-amino-4-piperidin-1-ylbutanoic acid

2-amino-4-piperidin-1-ylbutanoic acid (PubChem CID 63029749) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-amino-4-piperidin-1-ylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-piperidin-1-ylbutanoic acid
PubChem CID63029749
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-amino-4-piperidin-1-ylbutanoic acid
SMILESNC(CCN1CCCCC1)C(=O)O
InChIInChI=1S/C9H18N2O2/c10-8(9(12)13)4-7-11-5-2-1-3-6-11/h8H,1-7,10H2,(H,12,13)
InChIKeyNVLNNZDSBOXDKB-UHFFFAOYSA-N
XLogP0.27
TPSA66.56 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 ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-piperidin-1-ylbutanoic acid?
The IUPAC name of 2-amino-4-piperidin-1-ylbutanoic acid (CID 63029749) is 2-amino-4-piperidin-1-ylbutanoic acid.
What is the SMILES notation for 2-amino-4-piperidin-1-ylbutanoic acid?
The canonical SMILES for 2-amino-4-piperidin-1-ylbutanoic acid is NC(CCN1CCCCC1)C(=O)O.
What is the InChIKey of 2-amino-4-piperidin-1-ylbutanoic acid?
The InChIKey is NVLNNZDSBOXDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c10-8(9(12)13)4-7-11-5-2-1-3-6-11/h8H,1-7,10H2,(H,12,13).
What are the key properties of 2-amino-4-piperidin-1-ylbutanoic acid?
2-amino-4-piperidin-1-ylbutanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-piperidin-1-ylbutanoic acid is sourced from PubChem (CID 63029749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).