2-methyl-2-(methylamino)-4-(3-phenylpyrrolidin-1-yl)pentanoic acid

C17H26N2O2 — CID 64702739

IUPAC2-methyl-2-(methylamino)-4-(3-phenylpyrrolidin-1-yl)pentanoic acid
SMILESCNC(C)(CC(C)N1CCC(c2ccccc2)C1)C(=O)O
InChIInChI=1S/C17H26N2O2/c1-13(11-17(2,18-3)16(20)21)19-10-9-15(12-19)14-7-5-4-6-8-14/h4-8,13,15,18H,9-12H2,1-3H3,(H,20,21)
InChIKeyRHISECNTFSPNPC-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.32
Rot. Bonds6

About 2-methyl-2-(methylamino)-4-(3-phenylpyrrolidin-1-yl)pentanoic acid

2-methyl-2-(methylamino)-4-(3-phenylpyrrolidin-1-yl)pentanoic acid (PubChem CID 64702739) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(3-phenylpyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(3-phenylpyrrolidin-1-yl)pentanoic acid
PubChem CID64702739
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-methyl-2-(methylamino)-4-(3-phenylpyrrolidin-1-yl)pentanoic acid
SMILESCNC(C)(CC(C)N1CCC(c2ccccc2)C1)C(=O)O
InChIInChI=1S/C17H26N2O2/c1-13(11-17(2,18-3)16(20)21)19-10-9-15(12-19)14-7-5-4-6-8-14/h4-8,13,15,18H,9-12H2,1-3H3,(H,20,21)
InChIKeyRHISECNTFSPNPC-UHFFFAOYSA-N
XLogP2.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64704730
4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64705520
2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid
CID 79174927
2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 64705569
3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62413169
2-methyl-3-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 79406550
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
2-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 55039477
ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
CID 62070395
2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid
CID 64704032
2-methyl-2-(methylamino)-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131245
N,3-dimethyl-2-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 62412660

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-(3-phenylpyrrolidin-1-yl)pentanoic acid?
The IUPAC name of 2-methyl-2-(methylamino)-4-(3-phenylpyrrolidin-1-yl)pentanoic acid (CID 64702739) is 2-methyl-2-(methylamino)-4-(3-phenylpyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(3-phenylpyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(3-phenylpyrrolidin-1-yl)pentanoic acid is CNC(C)(CC(C)N1CCC(c2ccccc2)C1)C(=O)O.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(3-phenylpyrrolidin-1-yl)pentanoic acid?
The InChIKey is RHISECNTFSPNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(11-17(2,18-3)16(20)21)19-10-9-15(12-19)14-7-5-4-6-8-14/h4-8,13,15,18H,9-12H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-2-(methylamino)-4-(3-phenylpyrrolidin-1-yl)pentanoic acid?
2-methyl-2-(methylamino)-4-(3-phenylpyrrolidin-1-yl)pentanoic acid has a molecular weight of 290.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(3-phenylpyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 64702739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).