2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid

C14H24N2O3 — CID 106980294

IUPAC2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCC(C)C1(C(=O)NC(C)(C(=O)O)C2CC2)CCNC1
InChIInChI=1S/C14H24N2O3/c1-9(2)14(6-7-15-8-14)11(17)16-13(3,12(18)19)10-4-5-10/h9-10,15H,4-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyZRFVGBXZFKDZBQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.99
Rot. Bonds5

About 2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid

2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid (PubChem CID 106980294) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
PubChem CID106980294
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCC(C)C1(C(=O)NC(C)(C(=O)O)C2CC2)CCNC1
InChIInChI=1S/C14H24N2O3/c1-9(2)14(6-7-15-8-14)11(17)16-13(3,12(18)19)10-4-5-10/h9-10,15H,4-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyZRFVGBXZFKDZBQ-UHFFFAOYSA-N
XLogP0.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbut-3-yn-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980737
N-(3,3-dimethylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981240
N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980333
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 106980598
N-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981352
N-[1-(hydroxymethyl)cyclobutyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981299
N-(1-methylcyclobutyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981268
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979756
3-[tert-butyl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 106980310
N-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981399
N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107218541

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid (CID 106980294) is 2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid is CC(C)C1(C(=O)NC(C)(C(=O)O)C2CC2)CCNC1.
What is the InChIKey of 2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
The InChIKey is ZRFVGBXZFKDZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9(2)14(6-7-15-8-14)11(17)16-13(3,12(18)19)10-4-5-10/h9-10,15H,4-8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid has a molecular weight of 268.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 106980294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).