2-[(hydroxyamino)methyl]prop-2-enoic acid

C4H7NO3 — CID 103282697

IUPAC2-[(hydroxyamino)methyl]prop-2-enoic acid
SMILESC=C(CNO)C(=O)O
InChIInChI=1S/C4H7NO3/c1-3(2-5-8)4(6)7/h5,8H,1-2H2,(H,6,7)
InChIKeyLCKZTIVTPQJCHV-UHFFFAOYSA-N
MW117.10 g/mol
LogP-0.39
Rot. Bonds3

About 2-[(hydroxyamino)methyl]prop-2-enoic acid

2-[(hydroxyamino)methyl]prop-2-enoic acid (PubChem CID 103282697) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is 2-[(hydroxyamino)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(hydroxyamino)methyl]prop-2-enoic acid
PubChem CID103282697
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name2-[(hydroxyamino)methyl]prop-2-enoic acid
SMILESC=C(CNO)C(=O)O
InChIInChI=1S/C4H7NO3/c1-3(2-5-8)4(6)7/h5,8H,1-2H2,(H,6,7)
InChIKeyLCKZTIVTPQJCHV-UHFFFAOYSA-N
XLogP-0.39
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(hydroxyamino)methyl]prop-2-enoic acid?
The IUPAC name of 2-[(hydroxyamino)methyl]prop-2-enoic acid (CID 103282697) is 2-[(hydroxyamino)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[(hydroxyamino)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[(hydroxyamino)methyl]prop-2-enoic acid is C=C(CNO)C(=O)O.
What is the InChIKey of 2-[(hydroxyamino)methyl]prop-2-enoic acid?
The InChIKey is LCKZTIVTPQJCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c1-3(2-5-8)4(6)7/h5,8H,1-2H2,(H,6,7).
What are the key properties of 2-[(hydroxyamino)methyl]prop-2-enoic acid?
2-[(hydroxyamino)methyl]prop-2-enoic acid has a molecular weight of 117.10 g/mol, XLogP of -0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(hydroxyamino)methyl]prop-2-enoic acid is sourced from PubChem (CID 103282697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).