3-[2-carboxyethyl(hydroxy)amino]propanoic acid

C6H11NO5 — CID 15055160

IUPAC3-[2-carboxyethyl(hydroxy)amino]propanoic acid
SMILESO=C(O)CCN(O)CCC(=O)O
InChIInChI=1S/C6H11NO5/c8-5(9)1-3-7(12)4-2-6(10)11/h12H,1-4H2,(H,8,9)(H,10,11)
InChIKeyGOKVSLADUAKALT-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.37
Rot. Bonds6

About 3-[2-carboxyethyl(hydroxy)amino]propanoic acid

3-[2-carboxyethyl(hydroxy)amino]propanoic acid (PubChem CID 15055160) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is 3-[2-carboxyethyl(hydroxy)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-carboxyethyl(hydroxy)amino]propanoic acid
PubChem CID15055160
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name3-[2-carboxyethyl(hydroxy)amino]propanoic acid
SMILESO=C(O)CCN(O)CCC(=O)O
InChIInChI=1S/C6H11NO5/c8-5(9)1-3-7(12)4-2-6(10)11/h12H,1-4H2,(H,8,9)(H,10,11)
InChIKeyGOKVSLADUAKALT-UHFFFAOYSA-N
XLogP-0.37
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Nitrilotripropionic acid
CID 98537
3-(N-Hydroxyacetamido)Propanoic Acid
CID 22959876
N-(2-carboxyethyl)-N-methyl-beta-alanine
CID 13451325
2-Isoxazolidinepropanoic acid
CID 28063897
3-[Ethyl(hydroxy)amino]-2,2-difluoropropanoic acid
CID 165466608
2,2-Difluoro-3-[hydroxy(propyl)amino]propanoic acid
CID 165840272
Methyl 3-[hydroxy-(3-methoxy-3-oxopropyl)amino]propanoate
CID 13358927
3-[Butan-2-yl(hydroxy)amino]propanoic acid
CID 17772882
3-[Hydroxy(2-hydroxyethyl)amino]propanoic acid
CID 19961419
3-[Ethyl(hydroxy)amino]propanoic acid
CID 20307296
3-[Hydroxy(propyl)amino]propanoic acid
CID 20776666
Disodium;3-[2-carboxylatoethyl(hydroxy)amino]propanoate
CID 20793610

Frequently Asked Questions

What is the IUPAC name of 3-[2-carboxyethyl(hydroxy)amino]propanoic acid?
The IUPAC name of 3-[2-carboxyethyl(hydroxy)amino]propanoic acid (CID 15055160) is 3-[2-carboxyethyl(hydroxy)amino]propanoic acid.
What is the SMILES notation for 3-[2-carboxyethyl(hydroxy)amino]propanoic acid?
The canonical SMILES for 3-[2-carboxyethyl(hydroxy)amino]propanoic acid is O=C(O)CCN(O)CCC(=O)O.
What is the InChIKey of 3-[2-carboxyethyl(hydroxy)amino]propanoic acid?
The InChIKey is GOKVSLADUAKALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO5/c8-5(9)1-3-7(12)4-2-6(10)11/h12H,1-4H2,(H,8,9)(H,10,11).
What are the key properties of 3-[2-carboxyethyl(hydroxy)amino]propanoic acid?
3-[2-carboxyethyl(hydroxy)amino]propanoic acid has a molecular weight of 177.16 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-carboxyethyl(hydroxy)amino]propanoic acid is sourced from PubChem (CID 15055160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).