2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid

C13H24N2O3 — CID 82768526

IUPAC2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C1(C)CCCC1N
InChIInChI=1S/C13H24N2O3/c1-9(2)7-15(8-11(16)17)12(18)13(3)6-4-5-10(13)14/h9-10H,4-8,14H2,1-3H3,(H,16,17)
InChIKeyJMZPQVHUZKPVHD-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.07
Rot. Bonds5

About 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid

2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 82768526) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid
PubChem CID82768526
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C1(C)CCCC1N
InChIInChI=1S/C13H24N2O3/c1-9(2)7-15(8-11(16)17)12(18)13(3)6-4-5-10(13)14/h9-10H,4-8,14H2,1-3H3,(H,16,17)
InChIKeyJMZPQVHUZKPVHD-UHFFFAOYSA-N
XLogP1.07
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetate
CID 82764089
2-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 82763619
2-amino-N,1-dimethyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 82764782
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylcyclopentane-1-carboxamide
CID 82764402
2-amino-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)cyclopentane-1-carboxamide
CID 82765752
2-amino-1-methyl-N,N-dipentylcyclopentane-1-carboxamide
CID 82763489
1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one
CID 116607171
2-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1-methylcyclopentane-1-carboxamide
CID 82763783
trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 55284582
(1R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 129318014
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]butanoic acid
CID 82768685
2-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 82765944

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid (CID 82768526) is 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)C1(C)CCCC1N.
What is the InChIKey of 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is JMZPQVHUZKPVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)7-15(8-11(16)17)12(18)13(3)6-4-5-10(13)14/h9-10H,4-8,14H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid?
2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 82768526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).