(2R)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid

C13H25N3O3 — CID 81474894

IUPAC(2R)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid
SMILESCC1CN(C(=O)N[C@@H](C(=O)O)C(C)C)CC1N(C)C
InChIInChI=1S/C13H25N3O3/c1-8(2)11(12(17)18)14-13(19)16-6-9(3)10(7-16)15(4)5/h8-11H,6-7H2,1-5H3,(H,14,19)(H,17,18)/t9?,10?,11-/m1/s1
InChIKeyFLGVQIXHWMOSLB-VQXHTEKXSA-N
MW271.36 g/mol
LogP0.69
Rot. Bonds4

About (2R)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid

(2R)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid (PubChem CID 81474894) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2R)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid
PubChem CID81474894
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name(2R)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid
SMILESCC1CN(C(=O)N[C@@H](C(=O)O)C(C)C)CC1N(C)C
InChIInChI=1S/C13H25N3O3/c1-8(2)11(12(17)18)14-13(19)16-6-9(3)10(7-16)15(4)5/h8-11H,6-7H2,1-5H3,(H,14,19)(H,17,18)/t9?,10?,11-/m1/s1
InChIKeyFLGVQIXHWMOSLB-VQXHTEKXSA-N
XLogP0.69
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid (CID 81474894) is (2R)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid is CC1CN(C(=O)N[C@@H](C(=O)O)C(C)C)CC1N(C)C.
What is the InChIKey of (2R)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid?
The InChIKey is FLGVQIXHWMOSLB-VQXHTEKXSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-8(2)11(12(17)18)14-13(19)16-6-9(3)10(7-16)15(4)5/h8-11H,6-7H2,1-5H3,(H,14,19)(H,17,18)/t9?,10?,11-/m1/s1.
What are the key properties of (2R)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid?
(2R)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 81474894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).