2-ethyl-2-(pentan-3-ylamino)butanoic acid

C11H23NO2 — CID 78969356

IUPAC2-ethyl-2-(pentan-3-ylamino)butanoic acid
SMILESCCC(CC)NC(CC)(CC)C(=O)O
InChIInChI=1S/C11H23NO2/c1-5-9(6-2)12-11(7-3,8-4)10(13)14/h9,12H,5-8H2,1-4H3,(H,13,14)
InChIKeyKSDJFWNYJJPPHU-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.41
Rot. Bonds7

About 2-ethyl-2-(pentan-3-ylamino)butanoic acid

2-ethyl-2-(pentan-3-ylamino)butanoic acid (PubChem CID 78969356) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-ethyl-2-(pentan-3-ylamino)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(pentan-3-ylamino)butanoic acid
PubChem CID78969356
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-ethyl-2-(pentan-3-ylamino)butanoic acid
SMILESCCC(CC)NC(CC)(CC)C(=O)O
InChIInChI=1S/C11H23NO2/c1-5-9(6-2)12-11(7-3,8-4)10(13)14/h9,12H,5-8H2,1-4H3,(H,13,14)
InChIKeyKSDJFWNYJJPPHU-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-(octan-3-ylamino)heptanoic acid
CID 118599680
2-ethyl-2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanoic acid
CID 79810156
2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid
CID 79804394
2-ethyl-2-(heptan-2-ylamino)butanoic acid
CID 114996703
3-methyl-N-pentan-3-ylpentan-3-amine
CID 103931898
2-ethyl-4-methyl-2-(methylamino)hexanoic acid
CID 43753669
2-ethyl-2-(pent-1-yn-3-ylcarbamoylamino)butanoic acid
CID 106232185
2-ethyl-2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]butanoic acid
CID 79804517
2-ethyl-2-formamidobutanoic acid
CID 63689307
2-acetamido-2-ethyl-4-methylhexanoic acid
CID 63702394
2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid
CID 114987750
2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid
CID 79806625

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(pentan-3-ylamino)butanoic acid?
The IUPAC name of 2-ethyl-2-(pentan-3-ylamino)butanoic acid (CID 78969356) is 2-ethyl-2-(pentan-3-ylamino)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(pentan-3-ylamino)butanoic acid?
The canonical SMILES for 2-ethyl-2-(pentan-3-ylamino)butanoic acid is CCC(CC)NC(CC)(CC)C(=O)O.
What is the InChIKey of 2-ethyl-2-(pentan-3-ylamino)butanoic acid?
The InChIKey is KSDJFWNYJJPPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-9(6-2)12-11(7-3,8-4)10(13)14/h9,12H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 2-ethyl-2-(pentan-3-ylamino)butanoic acid?
2-ethyl-2-(pentan-3-ylamino)butanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(pentan-3-ylamino)butanoic acid is sourced from PubChem (CID 78969356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).