2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride

C10H21ClN2O2 — CID 67009777

IUPAC2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride
SMILESCCN(CC)C1CCN(CC(=O)O)C1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-3-12(4-2)9-5-6-11(7-9)8-10(13)14;/h9H,3-8H2,1-2H3,(H,13,14);1H
InChIKeyDVWYFXMENBBBTD-UHFFFAOYSA-N
MW236.74 g/mol
LogP0.91
Rot. Bonds5

About 2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride

2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride (PubChem CID 67009777) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is 2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride
PubChem CID67009777
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Name2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride
SMILESCCN(CC)C1CCN(CC(=O)O)C1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-3-12(4-2)9-5-6-11(7-9)8-10(13)14;/h9H,3-8H2,1-2H3,(H,13,14);1H
InChIKeyDVWYFXMENBBBTD-UHFFFAOYSA-N
XLogP0.91
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid
CID 66568090
2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid
CID 66567272
3-[3-(diethylamino)piperidin-1-yl]propanoic acid
CID 83840059
2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
CID 63175274
2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-ethylpentanoic acid
CID 106806209
2-[3-[acetyl(cyclopropyl)amino]piperidin-1-yl]acetic acid
CID 66567790
ethane;2-(3-methylpyrrolidin-1-yl)acetic acid
CID 143851762
2-[3-(diethylamino)pyrrolidin-1-yl]-1-(3,4-dimethylphenyl)ethanone
CID 63164662
3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid
CID 63165732
3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-ol
CID 63164582
2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride
CID 67009761
3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanamide
CID 55158563

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride (CID 67009777) is 2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride is CCN(CC)C1CCN(CC(=O)O)C1.Cl.
What is the InChIKey of 2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride?
The InChIKey is DVWYFXMENBBBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-3-12(4-2)9-5-6-11(7-9)8-10(13)14;/h9H,3-8H2,1-2H3,(H,13,14);1H.
What are the key properties of 2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride?
2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride is sourced from PubChem (CID 67009777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).