2-piperidin-1-ylbutanedioic acid

C9H15NO4 — CID 12615274

IUPAC2-piperidin-1-ylbutanedioic acid
SMILESO=C(O)CC(C(=O)O)N1CCCCC1
InChIInChI=1S/C9H15NO4/c11-8(12)6-7(9(13)14)10-4-2-1-3-5-10/h7H,1-6H2,(H,11,12)(H,13,14)
InChIKeyNHMLBIGJHDULMQ-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.40
Rot. Bonds4

About 2-piperidin-1-ylbutanedioic acid

2-piperidin-1-ylbutanedioic acid (PubChem CID 12615274) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-piperidin-1-ylbutanedioic acid.

Molecular Properties

Compound Name2-piperidin-1-ylbutanedioic acid
PubChem CID12615274
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-piperidin-1-ylbutanedioic acid
SMILESO=C(O)CC(C(=O)O)N1CCCCC1
InChIInChI=1S/C9H15NO4/c11-8(12)6-7(9(13)14)10-4-2-1-3-5-10/h7H,1-6H2,(H,11,12)(H,13,14)
InChIKeyNHMLBIGJHDULMQ-UHFFFAOYSA-N
XLogP0.40
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid
CID 661641
2-(Pyrrolidin-1-yl)butanedioic acid
CID 201380
1-Aspartate-n,n-diacetate
CID 9878179
Bis(carboxymethyl)aminosuccinic acid
CID 9816359
L,D-morpholinosuccinic acid
CID 12615272
1-Piperidinesuccinic acid, dimethyl ester
CID 140050
4-Methoxy-4-oxo-2-(piperidin-1-yl)butanoic acid hydrochloride
CID 137944250
(2S)-2-(diethylamino)butanedioic acid
CID 54484291
4-Methoxy-4-oxo-2-(piperidin-1-yl)butanoic acid
CID 135397344
(3R)-4-ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid
CID 1854478
(2S)-2-morpholin-4-ylbutanedioic acid
CID 12615273
2-[1,2-Dicarboxyethyl(methyl)amino]butanedioic acid
CID 18401334

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylbutanedioic acid?
The IUPAC name of 2-piperidin-1-ylbutanedioic acid (CID 12615274) is 2-piperidin-1-ylbutanedioic acid.
What is the SMILES notation for 2-piperidin-1-ylbutanedioic acid?
The canonical SMILES for 2-piperidin-1-ylbutanedioic acid is O=C(O)CC(C(=O)O)N1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylbutanedioic acid?
The InChIKey is NHMLBIGJHDULMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c11-8(12)6-7(9(13)14)10-4-2-1-3-5-10/h7H,1-6H2,(H,11,12)(H,13,14).
What are the key properties of 2-piperidin-1-ylbutanedioic acid?
2-piperidin-1-ylbutanedioic acid has a molecular weight of 201.22 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylbutanedioic acid is sourced from PubChem (CID 12615274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).