[(1-Carboxyethyl)amino]oxidanyl

C3H6NO3 — CID 165359193

IUPAC—
SMILESCC(N[O])C(=O)O
InChIInChI=1S/C3H6NO3/c1-2(4-7)3(5)6/h2,4H,1H3,(H,5,6)
InChIKeyJEKDERQYWIYAHY-UHFFFAOYSA-N
MW104.08 g/mol
LogP-0.61
Rot. Bonds2

About [(1-Carboxyethyl)amino]oxidanyl

[(1-Carboxyethyl)amino]oxidanyl (PubChem CID 165359193) has the molecular formula C3H6NO3 and a molecular weight of 104.08 g/mol.

Molecular Properties

Compound Name[(1-Carboxyethyl)amino]oxidanyl
PubChem CID165359193
Molecular FormulaC3H6NO3
Molecular Weight104.08 g/mol
Exact Mass104.03
IUPAC Name—
SMILESCC(N[O])C(=O)O
InChIInChI=1S/C3H6NO3/c1-2(4-7)3(5)6/h2,4H,1H3,(H,5,6)
InChIKeyJEKDERQYWIYAHY-UHFFFAOYSA-N
XLogP-0.61
TPSA69.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.08
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[2-[(1S)-1-carboxyethyl]hydrazinyl]propanoic acid
CID 25136606
(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid
CID 10953819
(2S)-2-(iodoamino)propanoic acid
CID 54416510
2-[[(1S)-1-carboxyethyl]amino]propanedioic acid
CID 87604666
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
carbonic acid;2-methylpropane
CID 87262286
trisodium;2-(1-carboxyethylamino)propanedioic acid;hydride
CID 174988964
(2S)-2-(2-methylhydrazinyl)propanoic acid;hydrochloride
CID 135156009
2-[[carboxy(hydroxy)methyl]amino]propanoic acid
CID 21195363
2-amino-1-(1-carboxyethylamino)prop-1-en-1-olate
CID 58797895
2-methylpropanoic acid
CID 173073412

Frequently Asked Questions

What is the IUPAC name of [(1-Carboxyethyl)amino]oxidanyl?
The IUPAC name of [(1-Carboxyethyl)amino]oxidanyl (CID 165359193) is not available.
What is the SMILES notation for [(1-Carboxyethyl)amino]oxidanyl?
The canonical SMILES for [(1-Carboxyethyl)amino]oxidanyl is CC(N[O])C(=O)O.
What is the InChIKey of [(1-Carboxyethyl)amino]oxidanyl?
The InChIKey is JEKDERQYWIYAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO3/c1-2(4-7)3(5)6/h2,4H,1H3,(H,5,6).
What are the key properties of [(1-Carboxyethyl)amino]oxidanyl?
[(1-Carboxyethyl)amino]oxidanyl has a molecular weight of 104.08 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-Carboxyethyl)amino]oxidanyl is sourced from PubChem (CID 165359193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).