(2S)-2-amino-3-methylbut-3-enoic acid

C5H9NO2 — CID 11332562

IUPAC(2S)-2-amino-3-methylbut-3-enoic acid
SMILESC=C(C)[C@H](N)C(=O)O
InChIInChI=1S/C5H9NO2/c1-3(2)4(6)5(7)8/h4H,1,6H2,2H3,(H,7,8)/t4-/m0/s1
InChIKeyCJNBBWGXTPGZRW-BYPYZUCNSA-N
MW115.13 g/mol
LogP-0.03
Rot. Bonds2

About (2S)-2-amino-3-methylbut-3-enoic acid

(2S)-2-amino-3-methylbut-3-enoic acid (PubChem CID 11332562) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbut-3-enoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbut-3-enoic acid
PubChem CID11332562
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(2S)-2-amino-3-methylbut-3-enoic acid
SMILESC=C(C)[C@H](N)C(=O)O
InChIInChI=1S/C5H9NO2/c1-3(2)4(6)5(7)8/h4H,1,6H2,2H3,(H,7,8)/t4-/m0/s1
InChIKeyCJNBBWGXTPGZRW-BYPYZUCNSA-N
XLogP-0.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.03
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

2-amino-3-fluorobut-3-enoic acid
CID 3081008
3-amino-4-hydroxypent-4-en-2-one;hydrochloride
CID 171991279
acetic acid;2,2-diaminoacetic acid
CID 129094898
(2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid
CID 153456154
(2R)-2-aminopropanoic acid;2-methylprop-2-enamide
CID 175865115
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
acetic acid;(2S)-2-aminopropanoic acid
CID 87112640
acetic acid;(2S)-2-aminopropanoic acid
CID 87950802
2-methoxycarbonyl-3-methylbut-3-enoic acid
CID 14024770
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
acetic acid;ethane-1,1-diamine
CID 157325550

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbut-3-enoic acid?
The IUPAC name of (2S)-2-amino-3-methylbut-3-enoic acid (CID 11332562) is (2S)-2-amino-3-methylbut-3-enoic acid.
What is the SMILES notation for (2S)-2-amino-3-methylbut-3-enoic acid?
The canonical SMILES for (2S)-2-amino-3-methylbut-3-enoic acid is C=C(C)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-methylbut-3-enoic acid?
The InChIKey is CJNBBWGXTPGZRW-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3(2)4(6)5(7)8/h4H,1,6H2,2H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-3-methylbut-3-enoic acid?
(2S)-2-amino-3-methylbut-3-enoic acid has a molecular weight of 115.13 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbut-3-enoic acid is sourced from PubChem (CID 11332562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).