2-amino-3-(2-carboxyethoxy)propanoic acid

C6H11NO5 — CID 138683261

IUPAC2-amino-3-(2-carboxyethoxy)propanoic acid
SMILESNC(COCCC(=O)O)C(=O)O
InChIInChI=1S/C6H11NO5/c7-4(6(10)11)3-12-2-1-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
InChIKeyYGTWHZZFBVFEDR-UHFFFAOYSA-N
MW177.16 g/mol
LogP-1.11
Rot. Bonds6

About 2-amino-3-(2-carboxyethoxy)propanoic acid

2-amino-3-(2-carboxyethoxy)propanoic acid (PubChem CID 138683261) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-amino-3-(2-carboxyethoxy)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-carboxyethoxy)propanoic acid
PubChem CID138683261
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name2-amino-3-(2-carboxyethoxy)propanoic acid
SMILESNC(COCCC(=O)O)C(=O)O
InChIInChI=1S/C6H11NO5/c7-4(6(10)11)3-12-2-1-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
InChIKeyYGTWHZZFBVFEDR-UHFFFAOYSA-N
XLogP-1.11
TPSA109.85 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 ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
CID 118658592
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399
(2R)-2-amino-3-(carboxymethoxy)propanoic acid
CID 87968783
2-amino-3-(3-aminopropoxy)propanoic acid
CID 18674791
2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
CID 177139504
(2S)-3-acetyloxy-2-aminopropanoic acid
CID 88545588
3-(2-methylpropoxy)propanoic acid
CID 15033462
2-amino-3-decoxypropanoic acid
CID 134329186
(2S)-2-amino-3-[2-(carbamoylamino)ethoxy]propanoic acid
CID 121421901
2-amino-3-pent-4-enoxypropanoic acid
CID 79114694
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid
CID 87457805

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-carboxyethoxy)propanoic acid?
The IUPAC name of 2-amino-3-(2-carboxyethoxy)propanoic acid (CID 138683261) is 2-amino-3-(2-carboxyethoxy)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-carboxyethoxy)propanoic acid?
The canonical SMILES for 2-amino-3-(2-carboxyethoxy)propanoic acid is NC(COCCC(=O)O)C(=O)O.
What is the InChIKey of 2-amino-3-(2-carboxyethoxy)propanoic acid?
The InChIKey is YGTWHZZFBVFEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO5/c7-4(6(10)11)3-12-2-1-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11).
What are the key properties of 2-amino-3-(2-carboxyethoxy)propanoic acid?
2-amino-3-(2-carboxyethoxy)propanoic acid has a molecular weight of 177.16 g/mol, XLogP of -1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-carboxyethoxy)propanoic acid is sourced from PubChem (CID 138683261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).