3-[(3-ethyl-2-hydroxypentyl)amino]-2,2-dimethylpropanoic acid

C12H25NO3 — CID 106285731

IUPAC3-[(3-ethyl-2-hydroxypentyl)amino]-2,2-dimethylpropanoic acid
SMILESCCC(CC)C(O)CNCC(C)(C)C(=O)O
InChIInChI=1S/C12H25NO3/c1-5-9(6-2)10(14)7-13-8-12(3,4)11(15)16/h9-10,13-14H,5-8H2,1-4H3,(H,15,16)
InChIKeyQAINFKXEVAVFNT-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.48
Rot. Bonds8

About 3-[(3-ethyl-2-hydroxypentyl)amino]-2,2-dimethylpropanoic acid

3-[(3-ethyl-2-hydroxypentyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 106285731) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[(3-ethyl-2-hydroxypentyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(3-ethyl-2-hydroxypentyl)amino]-2,2-dimethylpropanoic acid
PubChem CID106285731
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name3-[(3-ethyl-2-hydroxypentyl)amino]-2,2-dimethylpropanoic acid
SMILESCCC(CC)C(O)CNCC(C)(C)C(=O)O
InChIInChI=1S/C12H25NO3/c1-5-9(6-2)10(14)7-13-8-12(3,4)11(15)16/h9-10,13-14H,5-8H2,1-4H3,(H,15,16)
InChIKeyQAINFKXEVAVFNT-UHFFFAOYSA-N
XLogP1.48
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]-2-methylpropane-1,3-diol
CID 106285929
3-ethyl-1-(ethylamino)pentan-2-ol
CID 62774490
1-(tert-butylamino)-3-ethylpentan-2-ol
CID 62775304
3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid
CID 79623675
N-ethyl-2-[(3-ethyl-2-hydroxypentyl)amino]acetamide
CID 106285867
2,2-dimethyl-3-(2-phenylpropylamino)propanoic acid
CID 104591356
2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoic acid
CID 79629822
3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid
CID 114941755
2,2-dimethyl-3-(methylamino)propanoic acid
CID 21458635
3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid
CID 115427879
3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol
CID 106285645
2-acetamido-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103658528

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-2-hydroxypentyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(3-ethyl-2-hydroxypentyl)amino]-2,2-dimethylpropanoic acid (CID 106285731) is 3-[(3-ethyl-2-hydroxypentyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(3-ethyl-2-hydroxypentyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(3-ethyl-2-hydroxypentyl)amino]-2,2-dimethylpropanoic acid is CCC(CC)C(O)CNCC(C)(C)C(=O)O.
What is the InChIKey of 3-[(3-ethyl-2-hydroxypentyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is QAINFKXEVAVFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-5-9(6-2)10(14)7-13-8-12(3,4)11(15)16/h9-10,13-14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 3-[(3-ethyl-2-hydroxypentyl)amino]-2,2-dimethylpropanoic acid?
3-[(3-ethyl-2-hydroxypentyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 231.34 g/mol, XLogP of 1.48, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-2-hydroxypentyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 106285731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).