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

C13H23NO3 — CID 107175437

IUPAC2-[(2-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C1CCCC1C
InChIInChI=1S/C13H23NO3/c1-9(2)7-14(8-12(15)16)13(17)11-6-4-5-10(11)3/h9-11H,4-8H2,1-3H3,(H,15,16)
InChIKeyDGBIFWDMSIWEPE-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.99
Rot. Bonds5

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

2-[(2-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 107175437) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[(2-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid
PubChem CID107175437
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[(2-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C1CCCC1C
InChIInChI=1S/C13H23NO3/c1-9(2)7-14(8-12(15)16)13(17)11-6-4-5-10(11)3/h9-11H,4-8H2,1-3H3,(H,15,16)
InChIKeyDGBIFWDMSIWEPE-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylcyclopentanecarbonyl)-prop-2-enylamino]acetic acid
CID 107175695
cis-(1R,2S)-2-[bis(2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 847386
N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107182758
2-[(2-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid
CID 65064207
2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869277
3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid
CID 107175280
2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63072028
2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 63064206
2-[(2,3-dimethylcyclohexyl)-(2-methylpropyl)amino]acetic acid
CID 65064000
N-(1-chloropropan-2-yl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107184308
(2R,3S)-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)oxane-3-carboxamide
CID 129399481
2-[(3-cyclopentyl-2-methylpropanoyl)-(2-methylpropyl)amino]acetic acid
CID 119192685

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(2-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid (CID 107175437) is 2-[(2-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)C1CCCC1C.
What is the InChIKey of 2-[(2-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is DGBIFWDMSIWEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(2)7-14(8-12(15)16)13(17)11-6-4-5-10(11)3/h9-11H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid?
2-[(2-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 241.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 107175437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).