2-(4-hydroxybutylamino)acetic acid

C6H13NO3 — CID 22121765

IUPAC2-(4-hydroxybutylamino)acetic acid
SMILESO=C(O)CNCCCCO
InChIInChI=1S/C6H13NO3/c8-4-2-1-3-7-5-6(9)10/h7-8H,1-5H2,(H,9,10)
InChIKeyHXMLCZPKTGULRR-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.57
Rot. Bonds6

About 2-(4-hydroxybutylamino)acetic acid

2-(4-hydroxybutylamino)acetic acid (PubChem CID 22121765) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-(4-hydroxybutylamino)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxybutylamino)acetic acid
PubChem CID22121765
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-(4-hydroxybutylamino)acetic acid
SMILESO=C(O)CNCCCCO
InChIInChI=1S/C6H13NO3/c8-4-2-1-3-7-5-6(9)10/h7-8H,1-5H2,(H,9,10)
InChIKeyHXMLCZPKTGULRR-UHFFFAOYSA-N
XLogP-0.57
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.57
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

sodium 2-(3-hydroxypropylamino)acetic acid
CID 21242628
5-(5-hydroxypentylamino)pentanoic acid
CID 107318223
sodium 2-(2-hydroxyethylamino)acetic acid
CID 22056559
2-(2-hydroxyethylamino)acetic acid;phosphane
CID 174633538
2-[bis(2-hydroxyethyl)amino]ethanol;2-(pentylamino)acetic acid
CID 174675948
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
sodium;2-(hexadecylamino)acetic acid;hydride
CID 174739572
2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid
CID 10091506
2-(16-sulfohexadecylamino)acetic acid
CID 22833417
2-(4-hydroxybutylamino)-1-phenylethanone
CID 15748500
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol
CID 178169165

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutylamino)acetic acid?
The IUPAC name of 2-(4-hydroxybutylamino)acetic acid (CID 22121765) is 2-(4-hydroxybutylamino)acetic acid.
What is the SMILES notation for 2-(4-hydroxybutylamino)acetic acid?
The canonical SMILES for 2-(4-hydroxybutylamino)acetic acid is O=C(O)CNCCCCO.
What is the InChIKey of 2-(4-hydroxybutylamino)acetic acid?
The InChIKey is HXMLCZPKTGULRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c8-4-2-1-3-7-5-6(9)10/h7-8H,1-5H2,(H,9,10).
What are the key properties of 2-(4-hydroxybutylamino)acetic acid?
2-(4-hydroxybutylamino)acetic acid has a molecular weight of 147.17 g/mol, XLogP of -0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutylamino)acetic acid is sourced from PubChem (CID 22121765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).