3,3-dimethyl-2-(propylamino)butanoic acid

C9H19NO2 — CID 61326415

IUPAC3,3-dimethyl-2-(propylamino)butanoic acid
SMILESCCCNC(C(=O)O)C(C)(C)C
InChIInChI=1S/C9H19NO2/c1-5-6-10-7(8(11)12)9(2,3)4/h7,10H,5-6H2,1-4H3,(H,11,12)
InChIKeyGJCSNWZNBKOMRJ-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.49
Rot. Bonds4

About 3,3-dimethyl-2-(propylamino)butanoic acid

3,3-dimethyl-2-(propylamino)butanoic acid (PubChem CID 61326415) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3,3-dimethyl-2-(propylamino)butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-(propylamino)butanoic acid
PubChem CID61326415
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3,3-dimethyl-2-(propylamino)butanoic acid
SMILESCCCNC(C(=O)O)C(C)(C)C
InChIInChI=1S/C9H19NO2/c1-5-6-10-7(8(11)12)9(2,3)4/h7,10H,5-6H2,1-4H3,(H,11,12)
InChIKeyGJCSNWZNBKOMRJ-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-2-(propylamino)butanamide
CID 61325789
(2S)-2-(hex-5-enylamino)-3,3-dimethylbutanoic acid
CID 58005101
(2S)-3,3-dimethyl-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
CID 61478990
2-hydroxy-2-(propylamino)acetic acid
CID 150951827
N-hydroxy-N,3,3-trimethyl-2-(pentylamino)butanamide
CID 175301639
(2S)-2-(formyloxymethylamino)-3,3-dimethylbutanoic acid
CID 89349325
2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid
CID 43468064
3,3-dimethyl-2-(prop-1-en-2-yloxymethylamino)butanoic acid
CID 89054484
3,3-dimethyl-2-(methylamino)butanoic acid;ethane
CID 143824756
(2S)-3,3-dimethyl-2-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]butanoic acid
CID 61452367
2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 43468018
(2S)-2-(2-ethylbutanoylamino)-3,3-dimethylbutanoic acid
CID 61143229

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(propylamino)butanoic acid?
The IUPAC name of 3,3-dimethyl-2-(propylamino)butanoic acid (CID 61326415) is 3,3-dimethyl-2-(propylamino)butanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-(propylamino)butanoic acid?
The canonical SMILES for 3,3-dimethyl-2-(propylamino)butanoic acid is CCCNC(C(=O)O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-(propylamino)butanoic acid?
The InChIKey is GJCSNWZNBKOMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-6-10-7(8(11)12)9(2,3)4/h7,10H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 3,3-dimethyl-2-(propylamino)butanoic acid?
3,3-dimethyl-2-(propylamino)butanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(propylamino)butanoic acid is sourced from PubChem (CID 61326415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).