2-[1-[4-(diethylamino)-4-oxobutyl]pyrrolidin-2-yl]acetic acid

C14H26N2O3 — CID 61371702

IUPAC2-[1-[4-(diethylamino)-4-oxobutyl]pyrrolidin-2-yl]acetic acid
SMILESCCN(CC)C(=O)CCCN1CCCC1CC(=O)O
InChIInChI=1S/C14H26N2O3/c1-3-15(4-2)13(17)8-6-10-16-9-5-7-12(16)11-14(18)19/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyURNZLPPGXVVHOG-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.57
Rot. Bonds8

About 2-[1-[4-(diethylamino)-4-oxobutyl]pyrrolidin-2-yl]acetic acid

2-[1-[4-(diethylamino)-4-oxobutyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61371702) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[1-[4-(diethylamino)-4-oxobutyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(diethylamino)-4-oxobutyl]pyrrolidin-2-yl]acetic acid
PubChem CID61371702
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[1-[4-(diethylamino)-4-oxobutyl]pyrrolidin-2-yl]acetic acid
SMILESCCN(CC)C(=O)CCCN1CCCC1CC(=O)O
InChIInChI=1S/C14H26N2O3/c1-3-15(4-2)13(17)8-6-10-16-9-5-7-12(16)11-14(18)19/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyURNZLPPGXVVHOG-UHFFFAOYSA-N
XLogP1.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-1-[3-(hexanoylamino)propyl]pyrrolidin-2-yl]acetic acid
CID 24762741
N,N-diethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546901
methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115536916
2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid
CID 81113634
2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]acetic acid
CID 54960865
3-[1-[4-(dimethylamino)-4-oxobutyl]piperidin-2-yl]propanoic acid
CID 62216161
7-[2-(hydroxymethyl)pyrrolidin-1-yl]heptanoic acid
CID 174218566
1-[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]propan-2-one
CID 79546576
N,N-diethyl-4-(2-pyrrolidin-2-ylpiperidin-1-yl)butanamide
CID 63256599
2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid
CID 54960885
N,N-diethyl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62733674
1-[4-(diethylamino)-4-oxobutyl]pyrrolidine-3-carboxylic acid
CID 63031858

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(diethylamino)-4-oxobutyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[4-(diethylamino)-4-oxobutyl]pyrrolidin-2-yl]acetic acid (CID 61371702) is 2-[1-[4-(diethylamino)-4-oxobutyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-(diethylamino)-4-oxobutyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[4-(diethylamino)-4-oxobutyl]pyrrolidin-2-yl]acetic acid is CCN(CC)C(=O)CCCN1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-[4-(diethylamino)-4-oxobutyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is URNZLPPGXVVHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-15(4-2)13(17)8-6-10-16-9-5-7-12(16)11-14(18)19/h12H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[4-(diethylamino)-4-oxobutyl]pyrrolidin-2-yl]acetic acid?
2-[1-[4-(diethylamino)-4-oxobutyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(diethylamino)-4-oxobutyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61371702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).