2-(butylideneamino)acetic acid

C6H11NO2 — CID 18690768

IUPAC2-(butylideneamino)acetic acid
SMILESCCC/C=N/CC(=O)O
InChIInChI=1S/C6H11NO2/c1-2-3-4-7-5-6(8)9/h4H,2-3,5H2,1H3,(H,8,9)/b7-4+
InChIKeyCPPQZSCZXHULNE-QPJJXVBHSA-N
MW129.16 g/mol
LogP0.94
Rot. Bonds4

About 2-(butylideneamino)acetic acid

2-(butylideneamino)acetic acid (PubChem CID 18690768) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-(butylideneamino)acetic acid.

Molecular Properties

Compound Name2-(butylideneamino)acetic acid
PubChem CID18690768
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-(butylideneamino)acetic acid
SMILESCCC/C=N/CC(=O)O
InChIInChI=1S/C6H11NO2/c1-2-3-4-7-5-6(8)9/h4H,2-3,5H2,1H3,(H,8,9)/b7-4+
InChIKeyCPPQZSCZXHULNE-QPJJXVBHSA-N
XLogP0.94
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.94
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-Oxopropylidene)amino)acetic acid
CID 432523
Sodium 2-(2-oxopropylideneamino)acetic acid
CID 54601878
2-(Ethylideneamino)acetic acid
CID 22967219
N,N'-dicarboxymethyl-1,2-ethanediimine
CID 87644006
Methyl 2-(butylideneamino)acetate
CID 139254783
2-(2,2-Dimethylpropylideneamino)acetic acid
CID 15088230
3-Methyliminopropanoic acid
CID 18322632
2-(3-Hydroxybutylideneamino)acetic acid
CID 18690772
2-(Propan-2-ylideneamino)acetic acid
CID 21468130
(2S)-2-(ethylideneamino)propanoic acid
CID 45086561
3-Ethyliminopropanoic acid
CID 54438010
2-[(3-Methoxy-2-methyl-3-oxopropylidene)amino]acetic acid
CID 57112343

Frequently Asked Questions

What is the IUPAC name of 2-(butylideneamino)acetic acid?
The IUPAC name of 2-(butylideneamino)acetic acid (CID 18690768) is 2-(butylideneamino)acetic acid.
What is the SMILES notation for 2-(butylideneamino)acetic acid?
The canonical SMILES for 2-(butylideneamino)acetic acid is CCC/C=N/CC(=O)O.
What is the InChIKey of 2-(butylideneamino)acetic acid?
The InChIKey is CPPQZSCZXHULNE-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-3-4-7-5-6(8)9/h4H,2-3,5H2,1H3,(H,8,9)/b7-4+.
What are the key properties of 2-(butylideneamino)acetic acid?
2-(butylideneamino)acetic acid has a molecular weight of 129.16 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylideneamino)acetic acid is sourced from PubChem (CID 18690768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).