3-hydroxypropyl 2-aminoacetate;hydrochloride

C5H12ClNO3 — CID 174791685

IUPAC3-hydroxypropyl 2-aminoacetate;hydrochloride
SMILESCl.NCC(=O)OCCCO
InChIInChI=1S/C5H11NO3.ClH/c6-4-5(8)9-3-1-2-7;/h7H,1-4,6H2;1H
InChIKeyDTMGYUDFNUGIAV-UHFFFAOYSA-N
MW169.61 g/mol
LogP-0.71
Rot. Bonds4

About 3-hydroxypropyl 2-aminoacetate;hydrochloride

3-hydroxypropyl 2-aminoacetate;hydrochloride (PubChem CID 174791685) has the molecular formula C5H12ClNO3 and a molecular weight of 169.61 g/mol. Its IUPAC name is 3-hydroxypropyl 2-aminoacetate;hydrochloride.

Molecular Properties

Compound Name3-hydroxypropyl 2-aminoacetate;hydrochloride
PubChem CID174791685
Molecular FormulaC5H12ClNO3
Molecular Weight169.61 g/mol
Exact Mass169.05
IUPAC Name3-hydroxypropyl 2-aminoacetate;hydrochloride
SMILESCl.NCC(=O)OCCCO
InChIInChI=1S/C5H11NO3.ClH/c6-4-5(8)9-3-1-2-7;/h7H,1-4,6H2;1H
InChIKeyDTMGYUDFNUGIAV-UHFFFAOYSA-N
XLogP-0.71
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 5-0.71
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

3-hydroxypropyl 4-[4-(3-hydroxypropoxy)-4-oxobutoxy]butanoate
CID 158830331
3-hydroxypropyl 2-(disulfanyl)acetate
CID 141243335
10-hydroxydecyl 3-sulfanylpropanoate
CID 88779381
bis(4-hydroxybutyl) octanedioate
CID 58519863
bis(10-hydroxydecyl) tetradecanedioate
CID 171852033
bis(7-hydroxyheptyl) icosanedioate
CID 91383667
4-[2-(2-aminoacetyl)oxyacetyl]oxybutanoic acid
CID 126736357
pentyl acetate;pentyl 2-aminoacetate
CID 178018293
3-hydroxypropyl 4-methylpentanoate
CID 87401837
9-hydroxynonyl propanoate
CID 90020173
6-(6-hydroxyhexanoyloxy)hexyl 6-hydroxyhexanoate;methane
CID 158211085
3-hydroxypropyl 3-(aziridin-1-yl)propanoate
CID 20582016

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl 2-aminoacetate;hydrochloride?
The IUPAC name of 3-hydroxypropyl 2-aminoacetate;hydrochloride (CID 174791685) is 3-hydroxypropyl 2-aminoacetate;hydrochloride.
What is the SMILES notation for 3-hydroxypropyl 2-aminoacetate;hydrochloride?
The canonical SMILES for 3-hydroxypropyl 2-aminoacetate;hydrochloride is Cl.NCC(=O)OCCCO.
What is the InChIKey of 3-hydroxypropyl 2-aminoacetate;hydrochloride?
The InChIKey is DTMGYUDFNUGIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.ClH/c6-4-5(8)9-3-1-2-7;/h7H,1-4,6H2;1H.
What are the key properties of 3-hydroxypropyl 2-aminoacetate;hydrochloride?
3-hydroxypropyl 2-aminoacetate;hydrochloride has a molecular weight of 169.61 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl 2-aminoacetate;hydrochloride is sourced from PubChem (CID 174791685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).