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

C11H20N2O4 — CID 106813990

IUPAC2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCCC(CNCC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-8(11(16)17)13-4-2-3-9(7-13)5-12-6-10(14)15/h8-9,12H,2-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyIDIGOOBYKRETJG-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.15
Rot. Bonds6

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

2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid (PubChem CID 106813990) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid
PubChem CID106813990
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCCC(CNCC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-8(11(16)17)13-4-2-3-9(7-13)5-12-6-10(14)15/h8-9,12H,2-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyIDIGOOBYKRETJG-UHFFFAOYSA-N
XLogP-0.15
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic 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-[[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidin-3-yl]methylamino]acetic acid
CID 106813810
2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid
CID 119135503
(2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129413747
2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
CID 106813828
2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propanoic acid
CID 119135088
2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 63847237
(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]butanoic acid
CID 64662613
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide
CID 63849842
N-cyclopentyl-2-[3-(ethylaminomethyl)piperidin-1-yl]propanamide
CID 63849664
2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid
CID 106814208

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid?
The IUPAC name of 2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid (CID 106813990) is 2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid?
The canonical SMILES for 2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid is CC(C(=O)O)N1CCCC(CNCC(=O)O)C1.
What is the InChIKey of 2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid?
The InChIKey is IDIGOOBYKRETJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(11(16)17)13-4-2-3-9(7-13)5-12-6-10(14)15/h8-9,12H,2-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid?
2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 106813990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).