3-[3-(dimethylamino)propyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid

C14H27N3O3 — CID 82327001

IUPAC3-[3-(dimethylamino)propyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid
SMILESCN(C)CCCN(CCC(=O)O)CC(=O)N1CCCC1
InChIInChI=1S/C14H27N3O3/c1-15(2)7-5-8-16(11-6-14(19)20)12-13(18)17-9-3-4-10-17/h3-12H2,1-2H3,(H,19,20)
InChIKeyICYSHZWINZHKOB-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.34
Rot. Bonds9

About 3-[3-(dimethylamino)propyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid

3-[3-(dimethylamino)propyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid (PubChem CID 82327001) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid
PubChem CID82327001
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name3-[3-(dimethylamino)propyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid
SMILESCN(C)CCCN(CCC(=O)O)CC(=O)N1CCCC1
InChIInChI=1S/C14H27N3O3/c1-15(2)7-5-8-16(11-6-14(19)20)12-13(18)17-9-3-4-10-17/h3-12H2,1-2H3,(H,19,20)
InChIKeyICYSHZWINZHKOB-UHFFFAOYSA-N
XLogP0.34
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-hydroxypropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 82326888
3-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 54899793
3-[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]propanoic acid
CID 61010359
3-[2-carboxyethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid
CID 82327027
3-[[2-(azepan-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82327043
N-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113150088
2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone
CID 43137313
3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330394
1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone
CID 86910796
2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid
CID 61006933
4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid
CID 54925850
2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone
CID 63761864

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid?
The IUPAC name of 3-[3-(dimethylamino)propyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid (CID 82327001) is 3-[3-(dimethylamino)propyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid.
What is the SMILES notation for 3-[3-(dimethylamino)propyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid?
The canonical SMILES for 3-[3-(dimethylamino)propyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid is CN(C)CCCN(CCC(=O)O)CC(=O)N1CCCC1.
What is the InChIKey of 3-[3-(dimethylamino)propyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid?
The InChIKey is ICYSHZWINZHKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-15(2)7-5-8-16(11-6-14(19)20)12-13(18)17-9-3-4-10-17/h3-12H2,1-2H3,(H,19,20).
What are the key properties of 3-[3-(dimethylamino)propyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid?
3-[3-(dimethylamino)propyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid has a molecular weight of 285.39 g/mol, XLogP of 0.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid is sourced from PubChem (CID 82327001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).