3-cyclopropyl-3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid

C14H25N3O3 — CID 82003478

IUPAC3-cyclopropyl-3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid
SMILESCN(C)CC1CCCN1C(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C14H25N3O3/c1-16(2)9-11-4-3-7-17(11)14(20)15-12(8-13(18)19)10-5-6-10/h10-12H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyXSYVZULZESUUCS-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.98
Rot. Bonds6

About 3-cyclopropyl-3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid

3-cyclopropyl-3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid (PubChem CID 82003478) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-cyclopropyl-3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid
PubChem CID82003478
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-cyclopropyl-3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid
SMILESCN(C)CC1CCCN1C(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C14H25N3O3/c1-16(2)9-11-4-3-7-17(11)14(20)15-12(8-13(18)19)10-5-6-10/h10-12H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyXSYVZULZESUUCS-UHFFFAOYSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
CID 62889558
(2R)-2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
CID 80757005
2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 62887648
2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid
CID 55128193
2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide
CID 62887688
4-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-4-oxobutanoic acid
CID 62889344
3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 115428765
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-oxoacetic acid
CID 62888059
2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-2-methylpropanoic acid
CID 55128241
4-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-4-oxobut-2-enoic acid
CID 76975859
3-cyclopropyl-3-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid
CID 82002419
3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63043931

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid (CID 82003478) is 3-cyclopropyl-3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid is CN(C)CC1CCCN1C(=O)NC(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid?
The InChIKey is XSYVZULZESUUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-16(2)9-11-4-3-7-17(11)14(20)15-12(8-13(18)19)10-5-6-10/h10-12H,3-9H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 3-cyclopropyl-3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid?
3-cyclopropyl-3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid has a molecular weight of 283.37 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 82003478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).