sodium 2-(3-hydroxypropylamino)acetic acid

C5H11NNaO3+ — CID 21242628

IUPACsodium 2-(3-hydroxypropylamino)acetic acid
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
InChIKeyFSYFKGDHZVCHHC-UHFFFAOYSA-N
MW156.14 g/mol
LogP-3.95
Rot. Bonds5

About sodium 2-(3-hydroxypropylamino)acetic acid

sodium 2-(3-hydroxypropylamino)acetic acid (PubChem CID 21242628) has the molecular formula C5H11NNaO3+ and a molecular weight of 156.14 g/mol. Its IUPAC name is sodium 2-(3-hydroxypropylamino)acetic acid.

Molecular Properties

Compound Namesodium 2-(3-hydroxypropylamino)acetic acid
PubChem CID21242628
Molecular FormulaC5H11NNaO3+
Molecular Weight156.14 g/mol
Exact Mass156.06
IUPAC Namesodium 2-(3-hydroxypropylamino)acetic acid
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
InChIKeyFSYFKGDHZVCHHC-UHFFFAOYSA-N
XLogP-3.95
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-3.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxybutylamino)acetic acid
CID 22121765
sodium 2-(2-hydroxyethylamino)acetic acid
CID 22056559
2-(2-hydroxyethylamino)acetic acid;phosphane
CID 174633538
sodium;2-(hexadecylamino)acetic acid;hydride
CID 174739572
sodium;2-(carboxymethylamino)acetic acid;hydride
CID 173003718
5-(5-hydroxypentylamino)pentanoic acid
CID 107318223
2-(carboxymethylamino)acetic acid
CID 8897
2-[bis(2-hydroxyethyl)amino]ethanol;2-(pentylamino)acetic acid
CID 174675948
2-(4,4-difluorobutylamino)acetic acid
CID 171702884
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid
CID 175074033
trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate
CID 174463163
3-(carboxymethylamino)propanoic acid;ethane
CID 143762125

Frequently Asked Questions

What is the IUPAC name of sodium 2-(3-hydroxypropylamino)acetic acid?
The IUPAC name of sodium 2-(3-hydroxypropylamino)acetic acid (CID 21242628) is sodium 2-(3-hydroxypropylamino)acetic acid.
What is the SMILES notation for sodium 2-(3-hydroxypropylamino)acetic acid?
The canonical SMILES for sodium 2-(3-hydroxypropylamino)acetic acid is O=C(O)CNCCCO.[Na+].
What is the InChIKey of sodium 2-(3-hydroxypropylamino)acetic acid?
The InChIKey is FSYFKGDHZVCHHC-UHFFFAOYSA-N. 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.
What are the key properties of sodium 2-(3-hydroxypropylamino)acetic acid?
sodium 2-(3-hydroxypropylamino)acetic acid has a molecular weight of 156.14 g/mol, XLogP of -3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(3-hydroxypropylamino)acetic acid is sourced from PubChem (CID 21242628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).