sodium 2-(3-hydroxypropylamino)acetate

C5H10NNaO3 — CID 88638121

IUPACsodium 2-(3-hydroxypropylamino)acetate
SMILESO=C([O-])CNCCCO.[Na+]
InChIInChI=1S/C5H11NO3.Na/c7-3-1-2-6-4-5(8)9;/h6-7H,1-4H2,(H,8,9);/q;+1/p-1
InChIKeyFSYFKGDHZVCHHC-UHFFFAOYSA-M
MW155.13 g/mol
LogP-5.29
Rot. Bonds5

About sodium 2-(3-hydroxypropylamino)acetate

sodium 2-(3-hydroxypropylamino)acetate (PubChem CID 88638121) has the molecular formula C5H10NNaO3 and a molecular weight of 155.13 g/mol. Its IUPAC name is sodium 2-(3-hydroxypropylamino)acetate.

Molecular Properties

Compound Namesodium 2-(3-hydroxypropylamino)acetate
PubChem CID88638121
Molecular FormulaC5H10NNaO3
Molecular Weight155.13 g/mol
Exact Mass155.06
IUPAC Namesodium 2-(3-hydroxypropylamino)acetate
SMILESO=C([O-])CNCCCO.[Na+]
InChIInChI=1S/C5H11NO3.Na/c7-3-1-2-6-4-5(8)9;/h6-7H,1-4H2,(H,8,9);/q;+1/p-1
InChIKeyFSYFKGDHZVCHHC-UHFFFAOYSA-M
XLogP-5.29
TPSA72.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.13
LogP ≤ 5-5.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Hydroxyethyl)glycine
CID 225935
N-(2-hydroxyethyl)-beta-alanine
CID 222905
N-(2-hydroxyethyl)alanine
CID 5487292
Glycine, N-(3-hydroxypropyl)-
CID 10313156
(2S)-2-(2-hydroxyethylamino)propanoic acid
CID 130443
3-(2-Hydroxyethylazaniumyl)propanoate
CID 36690572
N-[bis(hydroxymethyl)methyl]glycine
CID 18964105
(2-Hydroxyethyl)alanine
CID 19816311
3-Methoxypropylglycine
CID 43153282
sodium N-(2-hydroxyethyl)glycinate
CID 23668304
2-(3-Hydroxypentylamino)acetic acid
CID 91143486
2-[(2,2-Difluoro-3-hydroxypropyl)amino]acetic acid
CID 106176511

Frequently Asked Questions

What is the IUPAC name of sodium 2-(3-hydroxypropylamino)acetate?
The IUPAC name of sodium 2-(3-hydroxypropylamino)acetate (CID 88638121) is sodium 2-(3-hydroxypropylamino)acetate.
What is the SMILES notation for sodium 2-(3-hydroxypropylamino)acetate?
The canonical SMILES for sodium 2-(3-hydroxypropylamino)acetate is O=C([O-])CNCCCO.[Na+].
What is the InChIKey of sodium 2-(3-hydroxypropylamino)acetate?
The InChIKey is FSYFKGDHZVCHHC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO3.Na/c7-3-1-2-6-4-5(8)9;/h6-7H,1-4H2,(H,8,9);/q;+1/p-1.
What are the key properties of sodium 2-(3-hydroxypropylamino)acetate?
sodium 2-(3-hydroxypropylamino)acetate has a molecular weight of 155.13 g/mol, XLogP of -5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(3-hydroxypropylamino)acetate is sourced from PubChem (CID 88638121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).