2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid

C14H26N2O3 — CID 81044471

IUPAC2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid
SMILESCC(CCNC(=O)CC(C)C1CCCNC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(14(18)19)5-7-16-13(17)8-11(2)12-4-3-6-15-9-12/h10-12,15H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyMIJMECPKKVHAMJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.24
Rot. Bonds7

About 2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid

2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid (PubChem CID 81044471) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid
PubChem CID81044471
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid
SMILESCC(CCNC(=O)CC(C)C1CCCNC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(14(18)19)5-7-16-13(17)8-11(2)12-4-3-6-15-9-12/h10-12,15H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyMIJMECPKKVHAMJ-UHFFFAOYSA-N
XLogP1.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid
CID 115867286
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide
CID 81044384
N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide
CID 81044804
(2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 107824927
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434
(2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044692
N-(cyanomethyl)-3-piperidin-3-ylbutanamide
CID 81044352
N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724260
N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119728333

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid?
The IUPAC name of 2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid (CID 81044471) is 2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid.
What is the SMILES notation for 2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid?
The canonical SMILES for 2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid is CC(CCNC(=O)CC(C)C1CCCNC1)C(=O)O.
What is the InChIKey of 2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid?
The InChIKey is MIJMECPKKVHAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(14(18)19)5-7-16-13(17)8-11(2)12-4-3-6-15-9-12/h10-12,15H,3-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid?
2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid is sourced from PubChem (CID 81044471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).