(2S)-2-amino-4-(propan-2-ylideneamino)oxybutanoic acid

C7H14N2O3 — CID 129083322

IUPAC(2S)-2-amino-4-(propan-2-ylideneamino)oxybutanoic acid
SMILESCC(C)=NOCC[C@H](N)C(=O)O
InChIInChI=1S/C7H14N2O3/c1-5(2)9-12-4-3-6(8)7(10)11/h6H,3-4,8H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyWSGHCACUUNBHGD-LURJTMIESA-N
MW174.20 g/mol
LogP0.20
Rot. Bonds5

About (2S)-2-amino-4-(propan-2-ylideneamino)oxybutanoic acid

(2S)-2-amino-4-(propan-2-ylideneamino)oxybutanoic acid (PubChem CID 129083322) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2S)-2-amino-4-(propan-2-ylideneamino)oxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(propan-2-ylideneamino)oxybutanoic acid
PubChem CID129083322
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(2S)-2-amino-4-(propan-2-ylideneamino)oxybutanoic acid
SMILESCC(C)=NOCC[C@H](N)C(=O)O
InChIInChI=1S/C7H14N2O3/c1-5(2)9-12-4-3-6(8)7(10)11/h6H,3-4,8H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyWSGHCACUUNBHGD-LURJTMIESA-N
XLogP0.20
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(diaminomethylideneamino)oxybutanoic acid
CID 22376237
(2S)-2-amino-4-(diaminomethylideneamino)oxybutanoic acid;2-amino-4-(diaminomethylideneamino)oxybutanoic acid
CID 87408943
2-amino-4-(1-aminoethylideneamino)oxybutanoic acid;2-amino-N,3-dihydroxypropanamide
CID 174277232
4-acetyloxy-2-aminobutanoic acid;methanethiol
CID 87646885
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;2-amino-4-(diaminomethylideneamino)oxybutanoic acid
CID 88741926
2-amino-4-(3-oxobutoxy)butanoic acid
CID 146272358
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-amino-4-(3-methylbutoxy)butanoic acid
CID 106702741
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
(2S)-2-amino-4-oxalooxybutanoic acid
CID 46173773
(2S)-2-amino-4-(2-methylpropoxy)butanoic acid
CID 103942646
2-amino-5-oxo-5-sulfanylpentanoic acid
CID 71435123

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(propan-2-ylideneamino)oxybutanoic acid?
The IUPAC name of (2S)-2-amino-4-(propan-2-ylideneamino)oxybutanoic acid (CID 129083322) is (2S)-2-amino-4-(propan-2-ylideneamino)oxybutanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(propan-2-ylideneamino)oxybutanoic acid?
The canonical SMILES for (2S)-2-amino-4-(propan-2-ylideneamino)oxybutanoic acid is CC(C)=NOCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(propan-2-ylideneamino)oxybutanoic acid?
The InChIKey is WSGHCACUUNBHGD-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O3/c1-5(2)9-12-4-3-6(8)7(10)11/h6H,3-4,8H2,1-2H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-4-(propan-2-ylideneamino)oxybutanoic acid?
(2S)-2-amino-4-(propan-2-ylideneamino)oxybutanoic acid has a molecular weight of 174.20 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(propan-2-ylideneamino)oxybutanoic acid is sourced from PubChem (CID 129083322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).