ethane;2-(methylamino)butanoic acid

C7H17NO2 — CID 91558033

IUPACethane;2-(methylamino)butanoic acid
SMILESCC.CCC(NC)C(=O)O
InChIInChI=1S/C5H11NO2.C2H6/c1-3-4(6-2)5(7)8;1-2/h4,6H,3H2,1-2H3,(H,7,8);1-2H3
InChIKeyZLDXQZPFFOGWQD-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.10
Rot. Bonds3

About ethane;2-(methylamino)butanoic acid

ethane;2-(methylamino)butanoic acid (PubChem CID 91558033) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is ethane;2-(methylamino)butanoic acid.

Molecular Properties

Compound Nameethane;2-(methylamino)butanoic acid
PubChem CID91558033
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Nameethane;2-(methylamino)butanoic acid
SMILESCC.CCC(NC)C(=O)O
InChIInChI=1S/C5H11NO2.C2H6/c1-3-4(6-2)5(7)8;1-2/h4,6H,3H2,1-2H3,(H,7,8);1-2H3
InChIKeyZLDXQZPFFOGWQD-UHFFFAOYSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S)-4-methyl-2-(methylamino)hexanoic acid
CID 59874884
(2R)-2-(methylamino)pentanoic acid
CID 15677248
2-(iodoamino)butanoic acid
CID 23443212
(2S)-2-(methylamino)butanoyl iodide
CID 163605263
(2R)-2-(chloroamino)butanoic acid
CID 101181560
2-acetamidobutanoic acid;ethane;methanol
CID 143023346
3-ethylsulfonyl-2-(methylamino)propanoic acid
CID 83986201
3-chloro-2-(methylamino)propanoic acid;hydrochloride
CID 88507294
(2R)-2-(methylamino)-3-methylsulfanylpropanoic acid
CID 5288874
(2S)-2-(methylamino)pentanoic acid;molecular hydrogen;propane
CID 169240700
(2S)-2-(methylamino)-3-propoxypropanoic acid
CID 142490785
ethene;2-(methylamino)butanedioic acid
CID 174781740

Frequently Asked Questions

What is the IUPAC name of ethane;2-(methylamino)butanoic acid?
The IUPAC name of ethane;2-(methylamino)butanoic acid (CID 91558033) is ethane;2-(methylamino)butanoic acid.
What is the SMILES notation for ethane;2-(methylamino)butanoic acid?
The canonical SMILES for ethane;2-(methylamino)butanoic acid is CC.CCC(NC)C(=O)O.
What is the InChIKey of ethane;2-(methylamino)butanoic acid?
The InChIKey is ZLDXQZPFFOGWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C2H6/c1-3-4(6-2)5(7)8;1-2/h4,6H,3H2,1-2H3,(H,7,8);1-2H3.
What are the key properties of ethane;2-(methylamino)butanoic acid?
ethane;2-(methylamino)butanoic acid has a molecular weight of 147.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(methylamino)butanoic acid is sourced from PubChem (CID 91558033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).