2-[methyl(propan-2-yl)amino]butanoic acid

C8H17NO2 — CID 43808956

IUPAC2-[methyl(propan-2-yl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(C)C
InChIInChI=1S/C8H17NO2/c1-5-7(8(10)11)9(4)6(2)3/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyNQVDEBXXBNVIIQ-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.19
Rot. Bonds4

About 2-[methyl(propan-2-yl)amino]butanoic acid

2-[methyl(propan-2-yl)amino]butanoic acid (PubChem CID 43808956) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-[methyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl(propan-2-yl)amino]butanoic acid
PubChem CID43808956
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-[methyl(propan-2-yl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(C)C
InChIInChI=1S/C8H17NO2/c1-5-7(8(10)11)9(4)6(2)3/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyNQVDEBXXBNVIIQ-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(1-methylsulfanylpropan-2-yl)amino]butanoic acid
CID 112661600
ethyl 2-[methyl(propan-2-yl)amino]butanoate
CID 64660850
2-[methyl(5-methylheptan-3-yl)amino]butanoic acid
CID 65067988
2-[2-carboxyethyl(propan-2-yl)amino]butanoic acid
CID 82328618
2-[methyl(1-phenylpropyl)amino]butanoic acid
CID 65067637
2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoic acid
CID 103189748
2-[methyl(phosphono)amino]butanoic acid
CID 175198290
2-[methyl-[1-(4-methylsulfanylphenyl)ethyl]amino]butanoic acid
CID 65067889
2-[1-(2,4-dichlorophenyl)ethyl-methylamino]butanoic acid
CID 65067886
2-[1-(2-bromophenyl)ethyl-methylamino]butanoic acid
CID 65067636
3-amino-2-[methyl(pentan-3-yl)amino]propanoic acid
CID 64695623
2-[2-aminoethyl(methyl)amino]butanoic acid
CID 63654075

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 2-[methyl(propan-2-yl)amino]butanoic acid (CID 43808956) is 2-[methyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 2-[methyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 2-[methyl(propan-2-yl)amino]butanoic acid is CCC(C(=O)O)N(C)C(C)C.
What is the InChIKey of 2-[methyl(propan-2-yl)amino]butanoic acid?
The InChIKey is NQVDEBXXBNVIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-7(8(10)11)9(4)6(2)3/h6-7H,5H2,1-4H3,(H,10,11).
What are the key properties of 2-[methyl(propan-2-yl)amino]butanoic acid?
2-[methyl(propan-2-yl)amino]butanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 43808956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).