3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-ethylamino]-2-methylpropanoic acid

C14H27N3O3 — CID 62890249

IUPAC3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)N1CCCC1CN(C)C
InChIInChI=1S/C14H27N3O3/c1-5-16(9-11(2)13(18)19)14(20)17-8-6-7-12(17)10-15(3)4/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyRZHVIQPTTTVITP-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.17
Rot. Bonds6

About 3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-ethylamino]-2-methylpropanoic acid

3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-ethylamino]-2-methylpropanoic acid (PubChem CID 62890249) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-ethylamino]-2-methylpropanoic acid
PubChem CID62890249
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)N1CCCC1CN(C)C
InChIInChI=1S/C14H27N3O3/c1-5-16(9-11(2)13(18)19)14(20)17-8-6-7-12(17)10-15(3)4/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyRZHVIQPTTTVITP-UHFFFAOYSA-N
XLogP1.17
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-ethylamino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[ethyl-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid
CID 79319687
2-[cyclopropylmethyl-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]acetic acid
CID 62889383
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-oxoacetic acid
CID 62888059
3-[(4-aminopiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 55123307
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 63090742
(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
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-oxobut-2-enoic acid
CID 76975757
3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 55155373
3-[ethyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 83219455

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-ethylamino]-2-methylpropanoic acid (CID 62890249) is 3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-ethylamino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)N1CCCC1CN(C)C.
What is the InChIKey of 3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is RZHVIQPTTTVITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-16(9-11(2)13(18)19)14(20)17-8-6-7-12(17)10-15(3)4/h11-12H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-ethylamino]-2-methylpropanoic acid?
3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62890249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).