2-amino-3-[4-[2-(oxomethylamino)ethoxy]phenyl]propanoic acid;fermium

C12H15FmN2O4- — CID 178135006

IUPAC2-amino-3-[4-[2-(oxomethylamino)ethoxy]phenyl]propanoic acid;fermium
SMILESNC(Cc1ccc(OCCN[C-]=O)cc1)C(=O)O.[Fm]
InChIInChI=1S/C12H15N2O4.Fm/c13-11(12(16)17)7-9-1-3-10(4-2-9)18-6-5-14-8-15;/h1-4,11H,5-7,13H2,(H,14,15)(H,16,17);/q-1;
InChIKeyQKKOPYBORNXYHQ-UHFFFAOYSA-N
MW508.26 g/mol
LogP-0.32
Rot. Bonds8

About 2-amino-3-[4-[2-(oxomethylamino)ethoxy]phenyl]propanoic acid;fermium

2-amino-3-[4-[2-(oxomethylamino)ethoxy]phenyl]propanoic acid;fermium (PubChem CID 178135006) has the molecular formula C12H15FmN2O4- and a molecular weight of 508.26 g/mol. Its IUPAC name is 2-amino-3-[4-[2-(oxomethylamino)ethoxy]phenyl]propanoic acid;fermium.

Molecular Properties

Compound Name2-amino-3-[4-[2-(oxomethylamino)ethoxy]phenyl]propanoic acid;fermium
PubChem CID178135006
Molecular FormulaC12H15FmN2O4-
Molecular Weight508.26 g/mol
Exact Mass508.20
IUPAC Name2-amino-3-[4-[2-(oxomethylamino)ethoxy]phenyl]propanoic acid;fermium
SMILESNC(Cc1ccc(OCCN[C-]=O)cc1)C(=O)O.[Fm]
InChIInChI=1S/C12H15N2O4.Fm/c13-11(12(16)17)7-9-1-3-10(4-2-9)18-6-5-14-8-15;/h1-4,11H,5-7,13H2,(H,14,15)(H,16,17);/q-1;
InChIKeyQKKOPYBORNXYHQ-UHFFFAOYSA-N
XLogP-0.32
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

CID 88967264
CID 88967264
(2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid
CID 11499578
(2S)-2-amino-3-[4-(4-aminobutoxy)phenyl]propanoic acid
CID 142948465
(2S)-2-amino-3-[4-(3-fluoropropoxy)phenyl]propanoic acid;hydrochloride
CID 118157791
(2S)-2-amino-3-(4-undecoxyphenyl)propanoic acid
CID 102330984
2-amino-3-[4-(3-methylbutoxy)phenyl]propanoic acid;hydrochloride
CID 118157824
(2R)-2-amino-3-[4-(methylsulfanylmethoxy)phenyl]propanoic acid
CID 144552252
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684
(2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide
CID 131720927
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
2-amino-3-[4-[(E)-but-2-enoxy]phenyl]propanoic acid
CID 143493409
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-[2-(oxomethylamino)ethoxy]phenyl]propanoic acid;fermium?
The IUPAC name of 2-amino-3-[4-[2-(oxomethylamino)ethoxy]phenyl]propanoic acid;fermium (CID 178135006) is 2-amino-3-[4-[2-(oxomethylamino)ethoxy]phenyl]propanoic acid;fermium.
What is the SMILES notation for 2-amino-3-[4-[2-(oxomethylamino)ethoxy]phenyl]propanoic acid;fermium?
The canonical SMILES for 2-amino-3-[4-[2-(oxomethylamino)ethoxy]phenyl]propanoic acid;fermium is NC(Cc1ccc(OCCN[C-]=O)cc1)C(=O)O.[Fm].
What is the InChIKey of 2-amino-3-[4-[2-(oxomethylamino)ethoxy]phenyl]propanoic acid;fermium?
The InChIKey is QKKOPYBORNXYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N2O4.Fm/c13-11(12(16)17)7-9-1-3-10(4-2-9)18-6-5-14-8-15;/h1-4,11H,5-7,13H2,(H,14,15)(H,16,17);/q-1;.
What are the key properties of 2-amino-3-[4-[2-(oxomethylamino)ethoxy]phenyl]propanoic acid;fermium?
2-amino-3-[4-[2-(oxomethylamino)ethoxy]phenyl]propanoic acid;fermium has a molecular weight of 508.26 g/mol, XLogP of -0.32, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-[2-(oxomethylamino)ethoxy]phenyl]propanoic acid;fermium is sourced from PubChem (CID 178135006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).