3-[ethyl(methyl)amino]propanoic acid;pyrrolidine-1-carboxamide

C11H23N3O3 — CID 68551332

IUPAC3-[ethyl(methyl)amino]propanoic acid;pyrrolidine-1-carboxamide
SMILESCCN(C)CCC(=O)O.NC(=O)N1CCCC1
InChIInChI=1S/C6H13NO2.C5H10N2O/c1-3-7(2)5-4-6(8)9;6-5(8)7-3-1-2-4-7/h3-5H2,1-2H3,(H,8,9);1-4H2,(H2,6,8)
InChIKeyYXPOTCMQFDJPJA-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.57
Rot. Bonds4

About 3-[ethyl(methyl)amino]propanoic acid;pyrrolidine-1-carboxamide

3-[ethyl(methyl)amino]propanoic acid;pyrrolidine-1-carboxamide (PubChem CID 68551332) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-[ethyl(methyl)amino]propanoic acid;pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[ethyl(methyl)amino]propanoic acid;pyrrolidine-1-carboxamide
PubChem CID68551332
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name3-[ethyl(methyl)amino]propanoic acid;pyrrolidine-1-carboxamide
SMILESCCN(C)CCC(=O)O.NC(=O)N1CCCC1
InChIInChI=1S/C6H13NO2.C5H10N2O/c1-3-7(2)5-4-6(8)9;6-5(8)7-3-1-2-4-7/h3-5H2,1-2H3,(H,8,9);1-4H2,(H2,6,8)
InChIKeyYXPOTCMQFDJPJA-UHFFFAOYSA-N
XLogP0.57
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 162750091
3-[bis(prop-2-enyl)amino]propanoic acid;piperidine-1-carboxamide
CID 68545523
ethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid
CID 143432854
ethane;pyrrolidine-1-carboxamide
CID 144643607
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
methanethiol;pyrrolidine-1-carboxamide
CID 155736349
ethane;piperidine-1-carboxamide
CID 176963561
8-aminooctanoic acid;pyrrolidine-1-carboxamide;hydrochloride
CID 67562559
3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]-ethylamino]propanoic acid
CID 61010652
lithium;hydride;pyrrolidine-1-carboxamide
CID 173065228
3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 55028667

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methyl)amino]propanoic acid;pyrrolidine-1-carboxamide?
The IUPAC name of 3-[ethyl(methyl)amino]propanoic acid;pyrrolidine-1-carboxamide (CID 68551332) is 3-[ethyl(methyl)amino]propanoic acid;pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[ethyl(methyl)amino]propanoic acid;pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[ethyl(methyl)amino]propanoic acid;pyrrolidine-1-carboxamide is CCN(C)CCC(=O)O.NC(=O)N1CCCC1.
What is the InChIKey of 3-[ethyl(methyl)amino]propanoic acid;pyrrolidine-1-carboxamide?
The InChIKey is YXPOTCMQFDJPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C5H10N2O/c1-3-7(2)5-4-6(8)9;6-5(8)7-3-1-2-4-7/h3-5H2,1-2H3,(H,8,9);1-4H2,(H2,6,8).
What are the key properties of 3-[ethyl(methyl)amino]propanoic acid;pyrrolidine-1-carboxamide?
3-[ethyl(methyl)amino]propanoic acid;pyrrolidine-1-carboxamide has a molecular weight of 245.32 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methyl)amino]propanoic acid;pyrrolidine-1-carboxamide is sourced from PubChem (CID 68551332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).