(2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid

C15H27N3O3 — CID 103928011

IUPAC(2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)N1CCC(N2CCCC2)C1)C(=O)O
InChIInChI=1S/C15H27N3O3/c1-15(2,3)12(13(19)20)16-14(21)18-9-6-11(10-18)17-7-4-5-8-17/h11-12H,4-10H2,1-3H3,(H,16,21)(H,19,20)/t11?,12-/m0/s1
InChIKeyITQQIBJQYVSMAM-KIYNQFGBSA-N
MW297.40 g/mol
LogP1.37
Rot. Bonds3

About (2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid

(2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid (PubChem CID 103928011) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid
PubChem CID103928011
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name(2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)N1CCC(N2CCCC2)C1)C(=O)O
InChIInChI=1S/C15H27N3O3/c1-15(2,3)12(13(19)20)16-14(21)18-9-6-11(10-18)17-7-4-5-8-17/h11-12H,4-10H2,1-3H3,(H,16,21)(H,19,20)/t11?,12-/m0/s1
InChIKeyITQQIBJQYVSMAM-KIYNQFGBSA-N
XLogP1.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid with MolForge

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Related Compounds

(2S)-2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61442803
3,3-dimethyl-2-(pyrrolidine-1-carbonylamino)butanoic acid
CID 61187859
3,3-dimethyl-2-(piperidine-1-carbonylamino)butanoic acid
CID 61181637
(2S)-2-(azepane-1-carbonylamino)-3,3-dimethylbutanoic acid
CID 61188548
(2S)-2-[(3-aminopiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61403898
(2R)-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 113356014
(2R)-2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566950
(2R)-4-methyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 78944969
N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide
CID 115695110
3,3-dimethyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 61440254
(2R)-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927647
(2R)-2-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 107228211

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid (CID 103928011) is (2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid is CC(C)(C)[C@@H](NC(=O)N1CCC(N2CCCC2)C1)C(=O)O.
What is the InChIKey of (2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid?
The InChIKey is ITQQIBJQYVSMAM-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(2,3)12(13(19)20)16-14(21)18-9-6-11(10-18)17-7-4-5-8-17/h11-12H,4-10H2,1-3H3,(H,16,21)(H,19,20)/t11?,12-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid?
(2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid has a molecular weight of 297.40 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 103928011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).