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

C12H21N3O4 — CID 113402528

IUPAC3-[(3-acetamidopyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(=O)NC1CCN(C(=O)NCC(C)(C)C(=O)O)C1
InChIInChI=1S/C12H21N3O4/c1-8(16)14-9-4-5-15(6-9)11(19)13-7-12(2,3)10(17)18/h9H,4-7H2,1-3H3,(H,13,19)(H,14,16)(H,17,18)
InChIKeyQWZBIEZVUNWLIR-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.02
Rot. Bonds4

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

3-[(3-acetamidopyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 113402528) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[(3-acetamidopyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(3-acetamidopyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
PubChem CID113402528
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name3-[(3-acetamidopyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(=O)NC1CCN(C(=O)NCC(C)(C)C(=O)O)C1
InChIInChI=1S/C12H21N3O4/c1-8(16)14-9-4-5-15(6-9)11(19)13-7-12(2,3)10(17)18/h9H,4-7H2,1-3H3,(H,13,19)(H,14,16)(H,17,18)
InChIKeyQWZBIEZVUNWLIR-UHFFFAOYSA-N
XLogP0.02
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 114679546
2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 115428804
3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 115428801
3-acetamidopyrrolidine-1-carboxylic acid
CID 22061271
2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 115428722
2-[[[3-(carbamoylamino)pyrrolidine-1-carbonyl]amino]methyl]-2-ethylbutanoic acid
CID 122126682
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
N-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetamide
CID 58877738
4-acetamido-N-tert-butylpiperidine-1-carboxamide
CID 110748466
2-(3-acetamidopyrrolidin-1-yl)acetic acid
CID 66567726
3-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115428947
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetamidopyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(3-acetamidopyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid (CID 113402528) is 3-[(3-acetamidopyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(3-acetamidopyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(3-acetamidopyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid is CC(=O)NC1CCN(C(=O)NCC(C)(C)C(=O)O)C1.
What is the InChIKey of 3-[(3-acetamidopyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is QWZBIEZVUNWLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-8(16)14-9-4-5-15(6-9)11(19)13-7-12(2,3)10(17)18/h9H,4-7H2,1-3H3,(H,13,19)(H,14,16)(H,17,18).
What are the key properties of 3-[(3-acetamidopyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid?
3-[(3-acetamidopyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetamidopyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 113402528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).