1-[3-(cyclopropylamino)propylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid

C13H23N3O3 — CID 79382716

IUPAC1-[3-(cyclopropylamino)propylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)NCCCNC1CC1
InChIInChI=1S/C13H23N3O3/c1-9-11(12(17)18)5-8-16(9)13(19)15-7-2-6-14-10-3-4-10/h9-11,14H,2-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyYEXUQGVRQQRGCU-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.63
Rot. Bonds6

About 1-[3-(cyclopropylamino)propylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid

1-[3-(cyclopropylamino)propylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79382716) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)propylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)propylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79382716
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[3-(cyclopropylamino)propylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)NCCCNC1CC1
InChIInChI=1S/C13H23N3O3/c1-9-11(12(17)18)5-8-16(9)13(19)15-7-2-6-14-10-3-4-10/h9-11,14H,2-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyYEXUQGVRQQRGCU-UHFFFAOYSA-N
XLogP0.63
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79383362
1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 83112725
2-methyl-1-[(1-methylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79383205
1-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79376864
N-[3-(cyclopropylamino)propyl]azepane-1-carboxamide
CID 79152117
4-[(2,3-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 122022322
2-methyl-1-(oxan-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 79383290
1-(2-methoxypropylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 102699792
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
1-(6-acetamidohexanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79363933
2-methyl-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79383140
N-[3-(cyclopropylamino)propyl]acetamide
CID 43596501

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)propylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-(cyclopropylamino)propylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid (CID 79382716) is 1-[3-(cyclopropylamino)propylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(cyclopropylamino)propylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(cyclopropylamino)propylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)NCCCNC1CC1.
What is the InChIKey of 1-[3-(cyclopropylamino)propylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is YEXUQGVRQQRGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9-11(12(17)18)5-8-16(9)13(19)15-7-2-6-14-10-3-4-10/h9-11,14H,2-8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[3-(cyclopropylamino)propylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[3-(cyclopropylamino)propylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)propylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79382716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).