(2S)-2-(3-methylbut-2-enylamino)propanoic acid

C8H15NO2 — CID 83192655

IUPAC(2S)-2-(3-methylbut-2-enylamino)propanoic acid
SMILESCC(C)=CCN[C@@H](C)C(=O)O
InChIInChI=1S/C8H15NO2/c1-6(2)4-5-9-7(3)8(10)11/h4,7,9H,5H2,1-3H3,(H,10,11)/t7-/m0/s1
InChIKeyMXFMUEQZIYFFFU-ZETCQYMHSA-N
MW157.21 g/mol
LogP1.02
Rot. Bonds4

About (2S)-2-(3-methylbut-2-enylamino)propanoic acid

(2S)-2-(3-methylbut-2-enylamino)propanoic acid (PubChem CID 83192655) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2S)-2-(3-methylbut-2-enylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-methylbut-2-enylamino)propanoic acid
PubChem CID83192655
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2S)-2-(3-methylbut-2-enylamino)propanoic acid
SMILESCC(C)=CCN[C@@H](C)C(=O)O
InChIInChI=1S/C8H15NO2/c1-6(2)4-5-9-7(3)8(10)11/h4,7,9H,5H2,1-3H3,(H,10,11)/t7-/m0/s1
InChIKeyMXFMUEQZIYFFFU-ZETCQYMHSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Prenylglycine
CID 19352183
2-(3-Methylbut-2-enylamino)-3-sulfanylpropanoic acid
CID 22395667
(2R)-2-(3-methylbut-2-enylamino)-3-sulfanylpropanoic acid
CID 23618389
N-(2-propenyl)alanine
CID 45086547
Allyl-selenocysteine
CID 87280558
2-(But-2-enylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79788691
3,3,3-Trifluoro-2-methyl-2-(3-methylbut-2-enylamino)propanoic acid
CID 79789429
N-Allyl-DL-alanine
CID 13326683
2-(Prop-2-enylamino)butanoic acid
CID 16724039
2-(But-3-en-2-ylamino)propanoic acid
CID 18426357
(2R)-2-(but-3-en-2-ylamino)propanoic acid
CID 18664909
4-methyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid
CID 20428560

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylbut-2-enylamino)propanoic acid?
The IUPAC name of (2S)-2-(3-methylbut-2-enylamino)propanoic acid (CID 83192655) is (2S)-2-(3-methylbut-2-enylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(3-methylbut-2-enylamino)propanoic acid?
The canonical SMILES for (2S)-2-(3-methylbut-2-enylamino)propanoic acid is CC(C)=CCN[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(3-methylbut-2-enylamino)propanoic acid?
The InChIKey is MXFMUEQZIYFFFU-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)4-5-9-7(3)8(10)11/h4,7,9H,5H2,1-3H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-(3-methylbut-2-enylamino)propanoic acid?
(2S)-2-(3-methylbut-2-enylamino)propanoic acid has a molecular weight of 157.21 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylbut-2-enylamino)propanoic acid is sourced from PubChem (CID 83192655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).