2-(butan-2-ylamino)-3-methylbutanoic acid

C9H19NO2 — CID 12837669

IUPAC2-(butan-2-ylamino)-3-methylbutanoic acid
SMILESCCC(C)NC(C(=O)O)C(C)C
InChIInChI=1S/C9H19NO2/c1-5-7(4)10-8(6(2)3)9(11)12/h6-8,10H,5H2,1-4H3,(H,11,12)
InChIKeyFATGEZNKVIWUAZ-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.48
Rot. Bonds5

About 2-(butan-2-ylamino)-3-methylbutanoic acid

2-(butan-2-ylamino)-3-methylbutanoic acid (PubChem CID 12837669) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(butan-2-ylamino)-3-methylbutanoic acid
PubChem CID12837669
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-(butan-2-ylamino)-3-methylbutanoic acid
SMILESCCC(C)NC(C(=O)O)C(C)C
InChIInChI=1S/C9H19NO2/c1-5-7(4)10-8(6(2)3)9(11)12/h6-8,10H,5H2,1-4H3,(H,11,12)
InChIKeyFATGEZNKVIWUAZ-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid
CID 93054816
3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butanoic acid
CID 64631382
2-[(1-methoxy-1-oxobutan-2-yl)amino]-3-methylbutanoic acid
CID 115353276
2-[4-(dimethylamino)butan-2-ylamino]-3-methylbutanoic acid
CID 103246578
2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid
CID 103233778
(2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid
CID 122124273
2-(butan-2-ylamino)-3-hydroxypropanoic acid
CID 79689063
2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid
CID 103265266
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-methylbutanoic acid
CID 103265823
2-[(2-ethyl-4-hydroxybutyl)amino]-3-methylbutanoic acid
CID 103259023
3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]butanoic acid
CID 106344813
(2S)-2-[[(2R)-2-hydroxypropyl]amino]-3-methylbutanoic acid
CID 58703522

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-3-methylbutanoic acid?
The IUPAC name of 2-(butan-2-ylamino)-3-methylbutanoic acid (CID 12837669) is 2-(butan-2-ylamino)-3-methylbutanoic acid.
What is the SMILES notation for 2-(butan-2-ylamino)-3-methylbutanoic acid?
The canonical SMILES for 2-(butan-2-ylamino)-3-methylbutanoic acid is CCC(C)NC(C(=O)O)C(C)C.
What is the InChIKey of 2-(butan-2-ylamino)-3-methylbutanoic acid?
The InChIKey is FATGEZNKVIWUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-7(4)10-8(6(2)3)9(11)12/h6-8,10H,5H2,1-4H3,(H,11,12).
What are the key properties of 2-(butan-2-ylamino)-3-methylbutanoic acid?
2-(butan-2-ylamino)-3-methylbutanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-3-methylbutanoic acid is sourced from PubChem (CID 12837669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).