4-(phenylmethoxyamino)butanoic acid;hydrochloride

C11H16ClNO3 — CID 139029466

IUPAC4-(phenylmethoxyamino)butanoic acid;hydrochloride
SMILESCl.O=C(O)CCCNOCc1ccccc1
InChIInChI=1S/C11H15NO3.ClH/c13-11(14)7-4-8-12-15-9-10-5-2-1-3-6-10;/h1-3,5-6,12H,4,7-9H2,(H,13,14);1H
InChIKeyVAEOATWOHCTHSH-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.99
Rot. Bonds7

About 4-(phenylmethoxyamino)butanoic acid;hydrochloride

4-(phenylmethoxyamino)butanoic acid;hydrochloride (PubChem CID 139029466) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-(phenylmethoxyamino)butanoic acid;hydrochloride.

Molecular Properties

Compound Name4-(phenylmethoxyamino)butanoic acid;hydrochloride
PubChem CID139029466
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name4-(phenylmethoxyamino)butanoic acid;hydrochloride
SMILESCl.O=C(O)CCCNOCc1ccccc1
InChIInChI=1S/C11H15NO3.ClH/c13-11(14)7-4-8-12-15-9-10-5-2-1-3-6-10;/h1-3,5-6,12H,4,7-9H2,(H,13,14);1H
InChIKeyVAEOATWOHCTHSH-UHFFFAOYSA-N
XLogP1.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 43239307
7-oxo-7-(phenylmethoxyamino)heptanoic acid
CID 57439168
ethyl 6-(phenylmethoxyamino)hexanoate
CID 64974453
4-bromo-N-phenylmethoxybutan-1-amine
CID 71377323
4-(phenylmethoxysulfamoyl)butanoic acid
CID 64974140
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
3-methoxy-N-phenylmethoxypropan-1-amine
CID 64974237
5-(3-phenylmethoxypropanoylamino)pentanoic acid
CID 119234260
N-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine
CID 10522538
2-[2-(phenylmethoxyamino)ethoxy]ethanol
CID 64974239
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372

Frequently Asked Questions

What is the IUPAC name of 4-(phenylmethoxyamino)butanoic acid;hydrochloride?
The IUPAC name of 4-(phenylmethoxyamino)butanoic acid;hydrochloride (CID 139029466) is 4-(phenylmethoxyamino)butanoic acid;hydrochloride.
What is the SMILES notation for 4-(phenylmethoxyamino)butanoic acid;hydrochloride?
The canonical SMILES for 4-(phenylmethoxyamino)butanoic acid;hydrochloride is Cl.O=C(O)CCCNOCc1ccccc1.
What is the InChIKey of 4-(phenylmethoxyamino)butanoic acid;hydrochloride?
The InChIKey is VAEOATWOHCTHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3.ClH/c13-11(14)7-4-8-12-15-9-10-5-2-1-3-6-10;/h1-3,5-6,12H,4,7-9H2,(H,13,14);1H.
What are the key properties of 4-(phenylmethoxyamino)butanoic acid;hydrochloride?
4-(phenylmethoxyamino)butanoic acid;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylmethoxyamino)butanoic acid;hydrochloride is sourced from PubChem (CID 139029466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).