2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid

C14H19N3O4 — CID 61403610

IUPAC2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid
SMILESNC1CCCN(C(=O)N(CC(=O)O)c2ccc(O)cc2)C1
InChIInChI=1S/C14H19N3O4/c15-10-2-1-7-16(8-10)14(21)17(9-13(19)20)11-3-5-12(18)6-4-11/h3-6,10,18H,1-2,7-9,15H2,(H,19,20)
InChIKeyYDTSTLWNWNHFGB-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.83
Rot. Bonds3

About 2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid

2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid (PubChem CID 61403610) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid
PubChem CID61403610
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid
SMILESNC1CCCN(C(=O)N(CC(=O)O)c2ccc(O)cc2)C1
InChIInChI=1S/C14H19N3O4/c15-10-2-1-7-16(8-10)14(21)17(9-13(19)20)11-3-5-12(18)6-4-11/h3-6,10,18H,1-2,7-9,15H2,(H,19,20)
InChIKeyYDTSTLWNWNHFGB-UHFFFAOYSA-N
XLogP0.83
TPSA107.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid?
The IUPAC name of 2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid (CID 61403610) is 2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid.
What is the SMILES notation for 2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid?
The canonical SMILES for 2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid is NC1CCCN(C(=O)N(CC(=O)O)c2ccc(O)cc2)C1.
What is the InChIKey of 2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid?
The InChIKey is YDTSTLWNWNHFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c15-10-2-1-7-16(8-10)14(21)17(9-13(19)20)11-3-5-12(18)6-4-11/h3-6,10,18H,1-2,7-9,15H2,(H,19,20).
What are the key properties of 2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid?
2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid has a molecular weight of 293.32 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid is sourced from PubChem (CID 61403610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).