2-[(2-cyclopentyl-2-methylpropanoyl)-ethylamino]acetic acid

C13H23NO3 — CID 120519682

IUPAC2-[(2-cyclopentyl-2-methylpropanoyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C(C)(C)C1CCCC1
InChIInChI=1S/C13H23NO3/c1-4-14(9-11(15)16)12(17)13(2,3)10-7-5-6-8-10/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyDRMAJXDXFLJAIE-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.14
Rot. Bonds5

About 2-[(2-cyclopentyl-2-methylpropanoyl)-ethylamino]acetic acid

2-[(2-cyclopentyl-2-methylpropanoyl)-ethylamino]acetic acid (PubChem CID 120519682) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[(2-cyclopentyl-2-methylpropanoyl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyclopentyl-2-methylpropanoyl)-ethylamino]acetic acid
PubChem CID120519682
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[(2-cyclopentyl-2-methylpropanoyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C(C)(C)C1CCCC1
InChIInChI=1S/C13H23NO3/c1-4-14(9-11(15)16)12(17)13(2,3)10-7-5-6-8-10/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyDRMAJXDXFLJAIE-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-cyclopentyl-2-methylpropanoyl)-methylamino]propanoic acid
CID 120524978
2-[[cyclopentylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 63655952
2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 61444099
2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid
CID 83199032
2-[carboxymethyl-[2-[2,2-dimethylpropyl(ethyl)amino]cyclohexyl]amino]acetic acid
CID 58038728
2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid
CID 79805439
2-[ethyl-[(2R)-piperidine-2-carbonyl]amino]acetic acid
CID 104913780
N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-3-ylpropanamide
CID 83031722
2-[[cyclobutylmethyl(ethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107400173
2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid
CID 114111594
2-[tert-butyl(cyclopentyl)amino]acetic acid
CID 79268396
2-[ethyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetic acid
CID 103925589

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentyl-2-methylpropanoyl)-ethylamino]acetic acid?
The IUPAC name of 2-[(2-cyclopentyl-2-methylpropanoyl)-ethylamino]acetic acid (CID 120519682) is 2-[(2-cyclopentyl-2-methylpropanoyl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(2-cyclopentyl-2-methylpropanoyl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(2-cyclopentyl-2-methylpropanoyl)-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)C(C)(C)C1CCCC1.
What is the InChIKey of 2-[(2-cyclopentyl-2-methylpropanoyl)-ethylamino]acetic acid?
The InChIKey is DRMAJXDXFLJAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-14(9-11(15)16)12(17)13(2,3)10-7-5-6-8-10/h10H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-cyclopentyl-2-methylpropanoyl)-ethylamino]acetic acid?
2-[(2-cyclopentyl-2-methylpropanoyl)-ethylamino]acetic acid has a molecular weight of 241.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentyl-2-methylpropanoyl)-ethylamino]acetic acid is sourced from PubChem (CID 120519682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).