(2S)-2-(ethylideneamino)propanoic acid

C5H9NO2 — CID 45086561

IUPAC(2S)-2-(ethylideneamino)propanoic acid
SMILESC/C=N/[C@@H](C)C(=O)O
InChIInChI=1S/C5H9NO2/c1-3-6-4(2)5(7)8/h3-4H,1-2H3,(H,7,8)/b6-3+/t4-/m0/s1
InChIKeyLHUBNQCFRBJVTO-BACQYFLQSA-N
MW115.13 g/mol
LogP0.55
Rot. Bonds2

About (2S)-2-(ethylideneamino)propanoic acid

(2S)-2-(ethylideneamino)propanoic acid (PubChem CID 45086561) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (2S)-2-(ethylideneamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(ethylideneamino)propanoic acid
PubChem CID45086561
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(2S)-2-(ethylideneamino)propanoic acid
SMILESC/C=N/[C@@H](C)C(=O)O
InChIInChI=1S/C5H9NO2/c1-3-6-4(2)5(7)8/h3-4H,1-2H3,(H,7,8)/b6-3+/t4-/m0/s1
InChIKeyLHUBNQCFRBJVTO-BACQYFLQSA-N
XLogP0.55
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Methylimidazolic acid
CID 23037044
Methyleneaminobutanoic acid
CID 129695598
2h-Azirine-2-carboxylic
CID 129782293
N-(1-carboxyethyl)ethanimine oxide
CID 134985809
2-(1-Carboxyethylideneamino)propanoic acid
CID 5165849
2-[2-(1-Carboxypropylimino)ethylideneamino]butanoic acid
CID 10220200
2-(Butylideneamino)acetic acid
CID 18690768
2-(Methylideneamino)propanoic acid
CID 18738471
Methyl 2-(ethylideneamino)propanoate
CID 23394348
methyl (2S)-2-(ethylideneamino)propanoate
CID 45086553
3-Cyclopropyliminopropanoic acid
CID 53682519
3-Tert-butyliminopropanoic acid
CID 53807839

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethylideneamino)propanoic acid?
The IUPAC name of (2S)-2-(ethylideneamino)propanoic acid (CID 45086561) is (2S)-2-(ethylideneamino)propanoic acid.
What is the SMILES notation for (2S)-2-(ethylideneamino)propanoic acid?
The canonical SMILES for (2S)-2-(ethylideneamino)propanoic acid is C/C=N/[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(ethylideneamino)propanoic acid?
The InChIKey is LHUBNQCFRBJVTO-BACQYFLQSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-6-4(2)5(7)8/h3-4H,1-2H3,(H,7,8)/b6-3+/t4-/m0/s1.
What are the key properties of (2S)-2-(ethylideneamino)propanoic acid?
(2S)-2-(ethylideneamino)propanoic acid has a molecular weight of 115.13 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethylideneamino)propanoic acid is sourced from PubChem (CID 45086561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).