2-ethyl-2-[[(2,4,4-trimethylcyclopentyl)amino]methyl]butanoic acid

C15H29NO2 — CID 122128443

IUPAC2-ethyl-2-[[(2,4,4-trimethylcyclopentyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC1CC(C)(C)CC1C)C(=O)O
InChIInChI=1S/C15H29NO2/c1-6-15(7-2,13(17)18)10-16-12-9-14(4,5)8-11(12)3/h11-12,16H,6-10H2,1-5H3,(H,17,18)
InChIKeyXPRCQBQLTHFMEQ-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.29
Rot. Bonds6

About 2-ethyl-2-[[(2,4,4-trimethylcyclopentyl)amino]methyl]butanoic acid

2-ethyl-2-[[(2,4,4-trimethylcyclopentyl)amino]methyl]butanoic acid (PubChem CID 122128443) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-ethyl-2-[[(2,4,4-trimethylcyclopentyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(2,4,4-trimethylcyclopentyl)amino]methyl]butanoic acid
PubChem CID122128443
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-ethyl-2-[[(2,4,4-trimethylcyclopentyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC1CC(C)(C)CC1C)C(=O)O
InChIInChI=1S/C15H29NO2/c1-6-15(7-2,13(17)18)10-16-12-9-14(4,5)8-11(12)3/h11-12,16H,6-10H2,1-5H3,(H,17,18)
InChIKeyXPRCQBQLTHFMEQ-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[[(3,3,5-trimethylcyclohexyl)amino]methyl]butanoic acid
CID 122128790
3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid
CID 106661765
2-[[(2-cyclopropylcyclohexyl)amino]methyl]-2-ethylbutanoic acid
CID 122128693
2-ethyl-2-[[(2-propan-2-ylcyclobutyl)amino]methyl]butanoic acid
CID 122128335
2,2-dimethyl-3-[(2,4,4-trimethylcyclopentyl)amino]propanenitrile
CID 106662827
2-ethyl-2-[(spiro[3.5]nonan-2-ylamino)methyl]butanoic acid
CID 122128209
N,N,2,2-tetramethyl-N'-(2,4,4-trimethylcyclopentyl)propane-1,3-diamine
CID 106661540
2-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-2-ethylbutanoic acid
CID 113308770
2-ethyl-2-[[(3-methylcyclohexyl)amino]methyl]butanoic acid
CID 122128820
N'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine
CID 106662472
2-ethyl-2-[(spiro[4.5]decan-4-ylamino)methyl]butanoic acid
CID 122128260
6-[(2,4,4-trimethylcyclopentyl)amino]hexan-1-ol
CID 106813241

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(2,4,4-trimethylcyclopentyl)amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(2,4,4-trimethylcyclopentyl)amino]methyl]butanoic acid (CID 122128443) is 2-ethyl-2-[[(2,4,4-trimethylcyclopentyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(2,4,4-trimethylcyclopentyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(2,4,4-trimethylcyclopentyl)amino]methyl]butanoic acid is CCC(CC)(CNC1CC(C)(C)CC1C)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[(2,4,4-trimethylcyclopentyl)amino]methyl]butanoic acid?
The InChIKey is XPRCQBQLTHFMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-6-15(7-2,13(17)18)10-16-12-9-14(4,5)8-11(12)3/h11-12,16H,6-10H2,1-5H3,(H,17,18).
What are the key properties of 2-ethyl-2-[[(2,4,4-trimethylcyclopentyl)amino]methyl]butanoic acid?
2-ethyl-2-[[(2,4,4-trimethylcyclopentyl)amino]methyl]butanoic acid has a molecular weight of 255.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(2,4,4-trimethylcyclopentyl)amino]methyl]butanoic acid is sourced from PubChem (CID 122128443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).