2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid

C14H26N2O3 — CID 119135503

IUPAC2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCCC(CNC(=O)C(C)(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-10(12(17)18)16-7-5-6-11(9-16)8-15-13(19)14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyHGQKEDCCMDEIQN-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.33
Rot. Bonds4

About 2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid

2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid (PubChem CID 119135503) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid
PubChem CID119135503
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCCC(CNC(=O)C(C)(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-10(12(17)18)16-7-5-6-11(9-16)8-15-13(19)14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyHGQKEDCCMDEIQN-UHFFFAOYSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid
CID 106813990
(2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129413747
N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 119779313
N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
CID 63241398
2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propanoic acid
CID 119135088
N-[[(3R)-1-[(2R)-2-hydroxybutyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 95624997
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 119866720
N-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847259
(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid
CID 42307253
2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid
CID 79413637
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide
CID 63849842
1-hydroxy-N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 110912958

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid?
The IUPAC name of 2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid (CID 119135503) is 2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid?
The canonical SMILES for 2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid is CC(C(=O)O)N1CCCC(CNC(=O)C(C)(C)C)C1.
What is the InChIKey of 2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid?
The InChIKey is HGQKEDCCMDEIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(12(17)18)16-7-5-6-11(9-16)8-15-13(19)14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid?
2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 119135503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).