2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid

C12H20N2O3 — CID 54945212

IUPAC2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)N1CCCCC1)C1CC1
InChIInChI=1S/C12H20N2O3/c15-11(13-6-2-1-3-7-13)8-14(9-12(16)17)10-4-5-10/h10H,1-9H2,(H,16,17)
InChIKeySHPPSXFYEVJOMQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.55
Rot. Bonds5

About 2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid

2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid (PubChem CID 54945212) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid
PubChem CID54945212
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)N1CCCCC1)C1CC1
InChIInChI=1S/C12H20N2O3/c15-11(13-6-2-1-3-7-13)8-14(9-12(16)17)10-4-5-10/h10H,1-9H2,(H,16,17)
InChIKeySHPPSXFYEVJOMQ-UHFFFAOYSA-N
XLogP0.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid
CID 122508236
2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 54945218
2-[(4-aminocyclohexyl)-ethylamino]-1-piperidin-1-ylethanone
CID 79115964
2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide
CID 60801064
2-[cyclopropyl(piperidine-1-carbonyl)amino]acetic acid
CID 61183378
2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone
CID 43319620
2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-1-piperidin-1-ylethanone
CID 71858831
2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone
CID 78843214
2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-cyclopropylamino]acetic acid
CID 60834199
N-cycloheptyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113166258
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide
CID 113159492
3-[cyclopropyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanoic acid
CID 60839193

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid (CID 54945212) is 2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid is O=C(O)CN(CC(=O)N1CCCCC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid?
The InChIKey is SHPPSXFYEVJOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(13-6-2-1-3-7-13)8-14(9-12(16)17)10-4-5-10/h10H,1-9H2,(H,16,17).
What are the key properties of 2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid?
2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid is sourced from PubChem (CID 54945212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).