3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid

C14H27N3O3 — CID 115428801

IUPAC3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCCN(CC)C1CCN(C(=O)NCC(C)(C)C(=O)O)C1
InChIInChI=1S/C14H27N3O3/c1-5-16(6-2)11-7-8-17(9-11)13(20)15-10-14(3,4)12(18)19/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyXMBBEBNZOXZHRQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.22
Rot. Bonds6

About 3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid

3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 115428801) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid
PubChem CID115428801
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCCN(CC)C1CCN(C(=O)NCC(C)(C)C(=O)O)C1
InChIInChI=1S/C14H27N3O3/c1-5-16(6-2)11-7-8-17(9-11)13(20)15-10-14(3,4)12(18)19/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyXMBBEBNZOXZHRQ-UHFFFAOYSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 115663003
4-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66001243
3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 114679546
2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 63549343
3-[(3-acetamidopyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 113402528
2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 115428722
2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 115428804
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
CID 63175274
4-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-3-methoxybutanoic acid
CID 103159359
3-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;dihydrochloride
CID 119843250
(4-tert-butylphenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 110440237

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid (CID 115428801) is 3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid is CCN(CC)C1CCN(C(=O)NCC(C)(C)C(=O)O)C1.
What is the InChIKey of 3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is XMBBEBNZOXZHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-16(6-2)11-7-8-17(9-11)13(20)15-10-14(3,4)12(18)19/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19).
What are the key properties of 3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid?
3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115428801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).