2-amino-4-piperidin-1-ylpentanedioic acid

C10H18N2O4 — CID 23631787

IUPAC2-amino-4-piperidin-1-ylpentanedioic acid
SMILESNC(CC(C(=O)O)N1CCCCC1)C(=O)O
InChIInChI=1S/C10H18N2O4/c11-7(9(13)14)6-8(10(15)16)12-4-2-1-3-5-12/h7-8H,1-6,11H2,(H,13,14)(H,15,16)
InChIKeyYIKWBGMEIPZPAQ-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.27
Rot. Bonds5

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

2-amino-4-piperidin-1-ylpentanedioic acid (PubChem CID 23631787) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-amino-4-piperidin-1-ylpentanedioic acid.

Molecular Properties

Compound Name2-amino-4-piperidin-1-ylpentanedioic acid
PubChem CID23631787
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-amino-4-piperidin-1-ylpentanedioic acid
SMILESNC(CC(C(=O)O)N1CCCCC1)C(=O)O
InChIInChI=1S/C10H18N2O4/c11-7(9(13)14)6-8(10(15)16)12-4-2-1-3-5-12/h7-8H,1-6,11H2,(H,13,14)(H,15,16)
InChIKeyYIKWBGMEIPZPAQ-UHFFFAOYSA-N
XLogP-0.27
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-piperidin-1-ylpentanedioic acid?
The IUPAC name of 2-amino-4-piperidin-1-ylpentanedioic acid (CID 23631787) is 2-amino-4-piperidin-1-ylpentanedioic acid.
What is the SMILES notation for 2-amino-4-piperidin-1-ylpentanedioic acid?
The canonical SMILES for 2-amino-4-piperidin-1-ylpentanedioic acid is NC(CC(C(=O)O)N1CCCCC1)C(=O)O.
What is the InChIKey of 2-amino-4-piperidin-1-ylpentanedioic acid?
The InChIKey is YIKWBGMEIPZPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c11-7(9(13)14)6-8(10(15)16)12-4-2-1-3-5-12/h7-8H,1-6,11H2,(H,13,14)(H,15,16).
What are the key properties of 2-amino-4-piperidin-1-ylpentanedioic acid?
2-amino-4-piperidin-1-ylpentanedioic acid has a molecular weight of 230.26 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-piperidin-1-ylpentanedioic acid is sourced from PubChem (CID 23631787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).