3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

C14H25N3O3 — CID 107324715

IUPAC3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCC1CCC(NC(=O)CN2CCC(N)(C(=O)O)C2)CC1
InChIInChI=1S/C14H25N3O3/c1-10-2-4-11(5-3-10)16-12(18)8-17-7-6-14(15,9-17)13(19)20/h10-11H,2-9,15H2,1H3,(H,16,18)(H,19,20)
InChIKeyYJXXULRFDUQHRD-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.17
Rot. Bonds4

About 3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 107324715) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID107324715
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCC1CCC(NC(=O)CN2CCC(N)(C(=O)O)C2)CC1
InChIInChI=1S/C14H25N3O3/c1-10-2-4-11(5-3-10)16-12(18)8-17-7-6-14(15,9-17)13(19)20/h10-11H,2-9,15H2,1H3,(H,16,18)(H,19,20)
InChIKeyYJXXULRFDUQHRD-UHFFFAOYSA-N
XLogP0.17
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 107324715) is 3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is CC1CCC(NC(=O)CN2CCC(N)(C(=O)O)C2)CC1.
What is the InChIKey of 3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YJXXULRFDUQHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10-2-4-11(5-3-10)16-12(18)8-17-7-6-14(15,9-17)13(19)20/h10-11H,2-9,15H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).