1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid

C9H17N3O3 — CID 63720942

IUPAC1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)NCCN)CC1C(=O)O
InChIInChI=1S/C9H17N3O3/c1-6-4-12(5-7(6)8(13)14)9(15)11-3-2-10/h6-7H,2-5,10H2,1H3,(H,11,15)(H,13,14)
InChIKeyJRRZQZWYIDJXDN-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.69
Rot. Bonds3

About 1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid

1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63720942) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63720942
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)NCCN)CC1C(=O)O
InChIInChI=1S/C9H17N3O3/c1-6-4-12(5-7(6)8(13)14)9(15)11-3-2-10/h6-7H,2-5,10H2,1H3,(H,11,15)(H,13,14)
InChIKeyJRRZQZWYIDJXDN-UHFFFAOYSA-N
XLogP-0.69
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720392
1-(2-cyclopentylethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63719557
4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721294
1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63722005
1-[(2-methoxy-2-oxoethyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719869
(3S,4S)-1-[2-(2,2-difluoroethoxy)ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114128611
4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106326432
(3S,4S)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98539691
4-methyl-1-(4-propan-2-yloxybutylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106004542
2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682968
1-(4-amino-2-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 80544995
4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721310

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid (CID 63720942) is 1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C(=O)NCCN)CC1C(=O)O.
What is the InChIKey of 1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is JRRZQZWYIDJXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-6-4-12(5-7(6)8(13)14)9(15)11-3-2-10/h6-7H,2-5,10H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63720942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).