3-amino-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

C14H25N3O3 — CID 107324654

IUPAC3-amino-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCN(C(=O)CN1CCC(N)(C(=O)O)C1)C1CCCCC1
InChIInChI=1S/C14H25N3O3/c1-16(11-5-3-2-4-6-11)12(18)9-17-8-7-14(15,10-17)13(19)20/h11H,2-10,15H2,1H3,(H,19,20)
InChIKeyQFWMAMUJAFTMOF-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.27
Rot. Bonds4

About 3-amino-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

3-amino-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 107324654) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-amino-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID107324654
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-amino-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCN(C(=O)CN1CCC(N)(C(=O)O)C1)C1CCCCC1
InChIInChI=1S/C14H25N3O3/c1-16(11-5-3-2-4-6-11)12(18)9-17-8-7-14(15,10-17)13(19)20/h11H,2-10,15H2,1H3,(H,19,20)
InChIKeyQFWMAMUJAFTMOF-UHFFFAOYSA-N
XLogP0.27
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324628
N-cyclohexyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylacetamide
CID 113249858
2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521865
3-amino-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324601
2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62690107
N-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide
CID 65448637
2-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclohexyl-N-methylacetamide
CID 72866271
1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140743
N-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide
CID 81490380
N-cyclopentyl-N-methyl-2-piperazin-1-ylacetamide
CID 43267406
N-cyclohexyl-N-methyl-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923321
2-(1-aminocyclopentyl)-N-cyclohexyl-N-methylacetamide
CID 64684539

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 107324654) is 3-amino-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is CN(C(=O)CN1CCC(N)(C(=O)O)C1)C1CCCCC1.
What is the InChIKey of 3-amino-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is QFWMAMUJAFTMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-16(11-5-3-2-4-6-11)12(18)9-17-8-7-14(15,10-17)13(19)20/h11H,2-10,15H2,1H3,(H,19,20).
What are the key properties of 3-amino-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).