4-amino-3-methylbutanoic acid;2-methylpropane

C9H21NO2 — CID 143811203

IUPAC4-amino-3-methylbutanoic acid;2-methylpropane
SMILESCC(C)C.CC(CN)CC(=O)O
InChIInChI=1S/C5H11NO2.C4H10/c1-4(3-6)2-5(7)8;1-4(2)3/h4H,2-3,6H2,1H3,(H,7,8);4H,1-3H3
InChIKeyNOGBVAIDISJLDS-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.72
Rot. Bonds3

About 4-amino-3-methylbutanoic acid;2-methylpropane

4-amino-3-methylbutanoic acid;2-methylpropane (PubChem CID 143811203) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 4-amino-3-methylbutanoic acid;2-methylpropane.

Molecular Properties

Compound Name4-amino-3-methylbutanoic acid;2-methylpropane
PubChem CID143811203
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name4-amino-3-methylbutanoic acid;2-methylpropane
SMILESCC(C)C.CC(CN)CC(=O)O
InChIInChI=1S/C5H11NO2.C4H10/c1-4(3-6)2-5(7)8;1-4(2)3/h4H,2-3,6H2,1H3,(H,7,8);4H,1-3H3
InChIKeyNOGBVAIDISJLDS-UHFFFAOYSA-N
XLogP1.72
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-4-amino-3-methylbutanoic acid;hydrochloride
CID 87721123
10-amino-3-methyldecanoic acid
CID 2832731
strontium;hydride;3-methylpentanedioic acid
CID 173490798
(3R)-5-amino-3-methyl-5-oxopentanoic acid
CID 55285544
3-methylhexanedioic acid;dihydrobromide
CID 172737269
hydrazine;3-methylbutanoic acid
CID 175217584
3-methyl-6-oxohexanoic acid
CID 73196600
3-(aminomethyl)-5-methylhexanoic acid
CID 4715169
3-methyloctanoic acid
CID 5312327
5-hydroxy-3-methylheptanoic acid
CID 143025483
8-hydroxy-3,7-dimethyloctanoic acid
CID 22035520
3-methyl-4-methylsulfanylbutanoic acid
CID 59946362

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methylbutanoic acid;2-methylpropane?
The IUPAC name of 4-amino-3-methylbutanoic acid;2-methylpropane (CID 143811203) is 4-amino-3-methylbutanoic acid;2-methylpropane.
What is the SMILES notation for 4-amino-3-methylbutanoic acid;2-methylpropane?
The canonical SMILES for 4-amino-3-methylbutanoic acid;2-methylpropane is CC(C)C.CC(CN)CC(=O)O.
What is the InChIKey of 4-amino-3-methylbutanoic acid;2-methylpropane?
The InChIKey is NOGBVAIDISJLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C4H10/c1-4(3-6)2-5(7)8;1-4(2)3/h4H,2-3,6H2,1H3,(H,7,8);4H,1-3H3.
What are the key properties of 4-amino-3-methylbutanoic acid;2-methylpropane?
4-amino-3-methylbutanoic acid;2-methylpropane has a molecular weight of 175.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methylbutanoic acid;2-methylpropane is sourced from PubChem (CID 143811203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).