3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid

C14H29N3O2 — CID 63165732

IUPAC3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid
SMILESCCNC(C)(CN1CCC(N(CC)CC)C1)C(=O)O
InChIInChI=1S/C14H29N3O2/c1-5-15-14(4,13(18)19)11-16-9-8-12(10-16)17(6-2)7-3/h12,15H,5-11H2,1-4H3,(H,18,19)
InChIKeyOABSSJJQEZTTIE-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.86
Rot. Bonds8

About 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid

3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid (PubChem CID 63165732) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid
PubChem CID63165732
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid
SMILESCCNC(C)(CN1CCC(N(CC)CC)C1)C(=O)O
InChIInChI=1S/C14H29N3O2/c1-5-15-14(4,13(18)19)11-16-9-8-12(10-16)17(6-2)7-3/h12,15H,5-11H2,1-4H3,(H,18,19)
InChIKeyOABSSJJQEZTTIE-UHFFFAOYSA-N
XLogP0.86
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanamide
CID 55158563
methyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 63165821
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanoic acid
CID 63165425
6-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylhexanoic acid
CID 63165554
2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 63549343
2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid
CID 63927035
2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride
CID 67009777
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid
CID 64704175
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-ethylbutanal
CID 63165409
2-cyclopropyl-3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propan-1-ol
CID 64789899
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 79361989
2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-ethylpentanoic acid
CID 106806209

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid?
The IUPAC name of 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid (CID 63165732) is 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid is CCNC(C)(CN1CCC(N(CC)CC)C1)C(=O)O.
What is the InChIKey of 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid?
The InChIKey is OABSSJJQEZTTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-5-15-14(4,13(18)19)11-16-9-8-12(10-16)17(6-2)7-3/h12,15H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid?
3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid has a molecular weight of 271.40 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid is sourced from PubChem (CID 63165732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).