1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid

C14H25N3O3 — CID 63147899

IUPAC1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCN(C)CC1CCCN1C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C14H25N3O3/c1-14(12(18)19)6-8-16(10-14)13(20)17-7-4-5-11(17)9-15(2)3/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyKPAYWWRTCORUOS-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.93
Rot. Bonds3

About 1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid

1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63147899) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63147899
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCN(C)CC1CCCN1C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C14H25N3O3/c1-14(12(18)19)6-8-16(10-14)13(20)17-7-4-5-11(17)9-15(2)3/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyKPAYWWRTCORUOS-UHFFFAOYSA-N
XLogP0.93
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146888
1-[2-(hydroxymethyl)azepane-1-carbonyl]-3-methylpiperidine-3-carboxylic acid
CID 116635552
1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149105
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-oxoacetic acid
CID 62888059
4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholine-2-carboxylic acid
CID 62890255
1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166354
1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146890
2-[4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66433529
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65282949
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 63090742
2-(1-aminocyclobutyl)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanone
CID 79854828
1-(cyclobutanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63143159

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63147899) is 1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is CN(C)CC1CCCN1C(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is KPAYWWRTCORUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(12(18)19)6-8-16(10-14)13(20)17-7-4-5-11(17)9-15(2)3/h11H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).