2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid

C14H28N2O2 — CID 79413637

IUPAC2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid
SMILESCC(C)NCC1CCCN(C(C)C(C)C(=O)O)C1
InChIInChI=1S/C14H28N2O2/c1-10(2)15-8-13-6-5-7-16(9-13)12(4)11(3)14(17)18/h10-13,15H,5-9H2,1-4H3,(H,17,18)
InChIKeySKSBMLLQKWVVDK-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.81
Rot. Bonds6

About 2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid

2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid (PubChem CID 79413637) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid
PubChem CID79413637
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid
SMILESCC(C)NCC1CCCN(C(C)C(C)C(=O)O)C1
InChIInChI=1S/C14H28N2O2/c1-10(2)15-8-13-6-5-7-16(9-13)12(4)11(3)14(17)18/h10-13,15H,5-9H2,1-4H3,(H,17,18)
InChIKeySKSBMLLQKWVVDK-UHFFFAOYSA-N
XLogP1.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-[3-(methylaminomethyl)piperidin-1-yl]butanehydrazide
CID 79409445
N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
CID 63241398
3-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid
CID 107225641
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241777
3-(cyclobutylmethylamino)-2-methylbutanoic acid
CID 79390885
2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid
CID 106813990
1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241729
methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 63241337
N-cyclopropyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204430
N-[(1-heptan-2-ylpiperidin-3-yl)methyl]propan-2-amine
CID 80558125
2,2-dimethyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241776
2-cyclopentyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241290

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid?
The IUPAC name of 2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid (CID 79413637) is 2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid.
What is the SMILES notation for 2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid?
The canonical SMILES for 2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid is CC(C)NCC1CCCN(C(C)C(C)C(=O)O)C1.
What is the InChIKey of 2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid?
The InChIKey is SKSBMLLQKWVVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)15-8-13-6-5-7-16(9-13)12(4)11(3)14(17)18/h10-13,15H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid?
2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid has a molecular weight of 256.39 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid is sourced from PubChem (CID 79413637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).