3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid

C11H20N2O3 — CID 110837529

IUPAC3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid
SMILESCN1CCCC(CC(=O)NCCC(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-13-6-2-3-9(8-13)7-10(14)12-5-4-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16)
InChIKeyODZSWKQSYWIUIL-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.31
Rot. Bonds5

About 3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid

3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid (PubChem CID 110837529) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid
PubChem CID110837529
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid
SMILESCN1CCCC(CC(=O)NCCC(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-13-6-2-3-9(8-13)7-10(14)12-5-4-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16)
InChIKeyODZSWKQSYWIUIL-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
N-cyclopropyl-2-(1-methylpiperidin-3-yl)acetamide
CID 110848024
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide
CID 62659462
N-[2,2-dimethyl-3-(methylamino)propyl]-2-(1-methylpiperidin-3-yl)acetamide
CID 115271200
3-amino-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
CID 115153050
2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271888
4-[2-(1-methylpyrrolidin-3-yl)ethylamino]-4-oxobutanoic acid
CID 115163740
2-[(1-methylpiperidin-3-yl)methyl]prop-2-enoic acid
CID 117266962
6-[(2-cycloheptylacetyl)amino]-4-ethylhexanoic acid
CID 114457173
2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79612545
N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide
CID 63892274
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid (CID 110837529) is 3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid is CN1CCCC(CC(=O)NCCC(=O)O)C1.
What is the InChIKey of 3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid?
The InChIKey is ODZSWKQSYWIUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-13-6-2-3-9(8-13)7-10(14)12-5-4-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid?
3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 110837529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).