2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid

C9H19NO2 — CID 82238205

IUPAC2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid
SMILESCC(C)C(C)NC(C)(C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-6(2)7(3)10-9(4,5)8(11)12/h6-7,10H,1-5H3,(H,11,12)
InChIKeyFBVXSGBCKZMQQQ-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.48
Rot. Bonds4

About 2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid

2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid (PubChem CID 82238205) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid
PubChem CID82238205
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid
SMILESCC(C)C(C)NC(C)(C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-6(2)7(3)10-9(4,5)8(11)12/h6-7,10H,1-5H3,(H,11,12)
InChIKeyFBVXSGBCKZMQQQ-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate
CID 43726051
2-(3-isocyanobutan-2-ylamino)-2-methylpropanoic acid
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2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
CID 65265565
2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid
CID 114994118
ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid
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2-(benzhydrylamino)-2-methylpropanoic acid
CID 174216539
2-(2-bromopropanoylamino)-2-methylpropanoic acid
CID 22253670
2-methyl-2-(2-sulfanylpropanoylamino)propanoic acid
CID 89140497
2-(2-hydroxypropylamino)-2-methylpropanoic acid
CID 19816225
2-[1-(furan-2-yl)ethylamino]-2-methylpropanoic acid
CID 82238331
(2S)-2-(tert-butylamino)-3-methylbutanoic acid
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(2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid
CID 45086732

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid (CID 82238205) is 2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid is CC(C)C(C)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid?
The InChIKey is FBVXSGBCKZMQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6(2)7(3)10-9(4,5)8(11)12/h6-7,10H,1-5H3,(H,11,12).
What are the key properties of 2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid?
2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid is sourced from PubChem (CID 82238205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).