4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid

C13H25N3O3 — CID 63549164

IUPAC4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid
SMILESCN(C)C1CCN(C(=O)NC(C)(C)CCC(=O)O)C1
InChIInChI=1S/C13H25N3O3/c1-13(2,7-5-11(17)18)14-12(19)16-8-6-10(9-16)15(3)4/h10H,5-9H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyUAJZBZKLJUBPIP-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.98
Rot. Bonds5

About 4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid

4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 63549164) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid
PubChem CID63549164
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid
SMILESCN(C)C1CCN(C(=O)NC(C)(C)CCC(=O)O)C1
InChIInChI=1S/C13H25N3O3/c1-13(2,7-5-11(17)18)14-12(19)16-8-6-10(9-16)15(3)4/h10H,5-9H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyUAJZBZKLJUBPIP-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonylamino)-4-methylpentanoic acid
CID 62047614
4-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 62061706
N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 115695099
4-methyl-4-[(4-propylpiperidine-1-carbonyl)amino]pentanoic acid
CID 62206502
4-methyl-4-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 62050387
4-methyl-4-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 62967281
4-methyl-4-(morpholine-4-carbonylamino)pentanoic acid
CID 62050012
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 104968032
2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid
CID 55220965
N-cyclopentyl-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 115610399
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 114328660
4-methyl-4-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid
CID 63614555

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid (CID 63549164) is 4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid is CN(C)C1CCN(C(=O)NC(C)(C)CCC(=O)O)C1.
What is the InChIKey of 4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is UAJZBZKLJUBPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-13(2,7-5-11(17)18)14-12(19)16-8-6-10(9-16)15(3)4/h10H,5-9H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid?
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 63549164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).