2-(3-hydroxyiminobutan-2-ylideneamino)acetic acid

C6H10N2O3 — CID 135472003

IUPAC2-(3-hydroxyiminobutan-2-ylideneamino)acetic acid
SMILESCC(=NO)/C(C)=N/CC(=O)O
InChIInChI=1S/C6H10N2O3/c1-4(5(2)8-11)7-3-6(9)10/h11H,3H2,1-2H3,(H,9,10)/b7-4+,8-5?
InChIKeyDARHPCHHGSLWDK-KPFNVLSRSA-N
MW158.16 g/mol
LogP0.38
Rot. Bonds3

About 2-(3-hydroxyiminobutan-2-ylideneamino)acetic acid

2-(3-hydroxyiminobutan-2-ylideneamino)acetic acid (PubChem CID 135472003) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-(3-hydroxyiminobutan-2-ylideneamino)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxyiminobutan-2-ylideneamino)acetic acid
PubChem CID135472003
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name2-(3-hydroxyiminobutan-2-ylideneamino)acetic acid
SMILESCC(=NO)/C(C)=N/CC(=O)O
InChIInChI=1S/C6H10N2O3/c1-4(5(2)8-11)7-3-6(9)10/h11H,3H2,1-2H3,(H,9,10)/b7-4+,8-5?
InChIKeyDARHPCHHGSLWDK-KPFNVLSRSA-N
XLogP0.38
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

carbamic acid;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine
CID 175173271
(NZ)-N-[3-[2-[[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]ethylimino]butan-2-ylidene]hydroxylamine;iron(2+)
CID 135801394
ethanol;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine
CID 174673280
azane;2-(diaminomethylideneamino)acetic acid
CID 174297206
2-(diaminomethylideneamino)acetic acid;hydrate
CID 141191811
(3E)-1,1,1-trideuterio-3-hydroxyiminobutan-2-one
CID 177440866
2-(3-phenacyliminobutan-2-ylideneamino)-1-phenylethanone
CID 58611626
(NE)-N-(3-pentyliminobutan-2-ylidene)hydroxylamine
CID 177494784
2-(acetyldiazenyl)acetic acid
CID 18793687
CID 162046175
CID 162046175
bis(N-[3-(3-aminopropylimino)butan-2-ylidene]hydroxylamine);cobalt(2+)
CID 135459891
ethane;(2Z)-2-hydroxyiminopropanamide
CID 143459456

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyiminobutan-2-ylideneamino)acetic acid?
The IUPAC name of 2-(3-hydroxyiminobutan-2-ylideneamino)acetic acid (CID 135472003) is 2-(3-hydroxyiminobutan-2-ylideneamino)acetic acid.
What is the SMILES notation for 2-(3-hydroxyiminobutan-2-ylideneamino)acetic acid?
The canonical SMILES for 2-(3-hydroxyiminobutan-2-ylideneamino)acetic acid is CC(=NO)/C(C)=N/CC(=O)O.
What is the InChIKey of 2-(3-hydroxyiminobutan-2-ylideneamino)acetic acid?
The InChIKey is DARHPCHHGSLWDK-KPFNVLSRSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-4(5(2)8-11)7-3-6(9)10/h11H,3H2,1-2H3,(H,9,10)/b7-4+,8-5?.
What are the key properties of 2-(3-hydroxyiminobutan-2-ylideneamino)acetic acid?
2-(3-hydroxyiminobutan-2-ylideneamino)acetic acid has a molecular weight of 158.16 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyiminobutan-2-ylideneamino)acetic acid is sourced from PubChem (CID 135472003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).