(2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]pentanoic acid

C13H25N3O3 — CID 107567351

IUPAC(2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N1CC(C)C(N(C)C)C1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-5-6-10(12(17)18)14-13(19)16-7-9(2)11(8-16)15(3)4/h9-11H,5-8H2,1-4H3,(H,14,19)(H,17,18)/t9?,10-,11?/m0/s1
InChIKeyDDYOGQHTEIZLRY-YVNMAJEFSA-N
MW271.36 g/mol
LogP0.83
Rot. Bonds5

About (2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]pentanoic acid

(2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]pentanoic acid (PubChem CID 107567351) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]pentanoic acid
PubChem CID107567351
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name(2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N1CC(C)C(N(C)C)C1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-5-6-10(12(17)18)14-13(19)16-7-9(2)11(8-16)15(3)4/h9-11H,5-8H2,1-4H3,(H,14,19)(H,17,18)/t9?,10-,11?/m0/s1
InChIKeyDDYOGQHTEIZLRY-YVNMAJEFSA-N
XLogP0.83
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]hexanoic acid
CID 107146370
2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 81474516
(2S)-4-amino-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]-4-oxobutanoic acid
CID 81474444
(2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567840
(2R)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 81474894
(2R)-2-[(3-methoxycarbonyl-4-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567313
2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 103536440
(2R)-2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567836
3-(dimethylamino)-N,4-dimethylpyrrolidine-1-carboxamide
CID 115690689
(2S)-2-[(4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107566997
(2S)-2-[(4-methylpiperazine-1-carbonyl)amino]pentanoic acid
CID 107565857
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566112

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]pentanoic acid (CID 107567351) is (2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]pentanoic acid is CCC[C@H](NC(=O)N1CC(C)C(N(C)C)C1)C(=O)O.
What is the InChIKey of (2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]pentanoic acid?
The InChIKey is DDYOGQHTEIZLRY-YVNMAJEFSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-5-6-10(12(17)18)14-13(19)16-7-9(2)11(8-16)15(3)4/h9-11H,5-8H2,1-4H3,(H,14,19)(H,17,18)/t9?,10-,11?/m0/s1.
What are the key properties of (2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]pentanoic acid?
(2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]pentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 107567351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).