3-[cyclopropyl-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]propanoic acid

C14H25N3O3 — CID 81474450

IUPAC3-[cyclopropyl-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]propanoic acid
SMILESCC1CN(C(=O)N(CCC(=O)O)C2CC2)CC1N(C)C
InChIInChI=1S/C14H25N3O3/c1-10-8-16(9-12(10)15(2)3)14(20)17(11-4-5-11)7-6-13(18)19/h10-12H,4-9H2,1-3H3,(H,18,19)
InChIKeySIMZPACHDZYDTL-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.93
Rot. Bonds5

About 3-[cyclopropyl-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]propanoic acid

3-[cyclopropyl-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]propanoic acid (PubChem CID 81474450) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[cyclopropyl-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]propanoic acid
PubChem CID81474450
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-[cyclopropyl-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]propanoic acid
SMILESCC1CN(C(=O)N(CCC(=O)O)C2CC2)CC1N(C)C
InChIInChI=1S/C14H25N3O3/c1-10-8-16(9-12(10)15(2)3)14(20)17(11-4-5-11)7-6-13(18)19/h10-12H,4-9H2,1-3H3,(H,18,19)
InChIKeySIMZPACHDZYDTL-UHFFFAOYSA-N
XLogP0.93
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 79181069
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 79181416
4-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]butanoic acid
CID 81475356
2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid
CID 81474434
3-[cyclopropyl-(4-ethyl-3-methylpiperazine-1-carbonyl)amino]propanoic acid
CID 63616193
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoacetic acid
CID 81474906
3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 81115163
3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 61200687
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentane-1,4-dione
CID 81463828
2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-methylamino]butanoic acid
CID 81474668
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
3-(dimethylamino)-N,4-dimethylpyrrolidine-1-carboxamide
CID 115690689

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]propanoic acid (CID 81474450) is 3-[cyclopropyl-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]propanoic acid is CC1CN(C(=O)N(CCC(=O)O)C2CC2)CC1N(C)C.
What is the InChIKey of 3-[cyclopropyl-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]propanoic acid?
The InChIKey is SIMZPACHDZYDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10-8-16(9-12(10)15(2)3)14(20)17(11-4-5-11)7-6-13(18)19/h10-12H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 3-[cyclopropyl-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]propanoic acid?
3-[cyclopropyl-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]propanoic acid has a molecular weight of 283.37 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 81474450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).