methyl 3-amino-3-hydroxypropanoate;hydrochloride

C4H10ClNO3 — CID 87417987

IUPACmethyl 3-amino-3-hydroxypropanoate;hydrochloride
SMILESCOC(=O)CC(N)O.Cl
InChIInChI=1S/C4H9NO3.ClH/c1-8-4(7)2-3(5)6;/h3,6H,2,5H2,1H3;1H
InChIKeyRKECHOZZLAWPDO-UHFFFAOYSA-N
MW155.58 g/mol
LogP-0.75
Rot. Bonds2

About methyl 3-amino-3-hydroxypropanoate;hydrochloride

methyl 3-amino-3-hydroxypropanoate;hydrochloride (PubChem CID 87417987) has the molecular formula C4H10ClNO3 and a molecular weight of 155.58 g/mol. Its IUPAC name is methyl 3-amino-3-hydroxypropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-amino-3-hydroxypropanoate;hydrochloride
PubChem CID87417987
Molecular FormulaC4H10ClNO3
Molecular Weight155.58 g/mol
Exact Mass155.03
IUPAC Namemethyl 3-amino-3-hydroxypropanoate;hydrochloride
SMILESCOC(=O)CC(N)O.Cl
InChIInChI=1S/C4H9NO3.ClH/c1-8-4(7)2-3(5)6;/h3,6H,2,5H2,1H3;1H
InChIKeyRKECHOZZLAWPDO-UHFFFAOYSA-N
XLogP-0.75
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.58
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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methyl 3-amino-3-chloropropanoate;hydrochloride
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dimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride
CID 88760531
dimethyl (2R)-2-aminobutanedioate
CID 6994535
(3S)-3-amino-5-methoxy-5-oxopentanoic acid;hydrochloride
CID 138040133
N,N-dimethylmethanamine;methyl 3-hydroxybutanoate
CID 174690053
dimethyl 3,7-diamino-5-oxononanedioate
CID 57305042
methyl (3R,4R)-3-amino-4-hydroxy-5-methylhexanoate
CID 102357296
dimethyl 3,7,11,15-tetraamino-5,9,13-trihydroxyheptadecanedioate
CID 57204139
azane;methyl 3-methylbutanoate;hydrochloride
CID 175434492
methyl 3-amino-3-cyclopropylpropanoate;hydrochloride
CID 71755746

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-3-hydroxypropanoate;hydrochloride?
The IUPAC name of methyl 3-amino-3-hydroxypropanoate;hydrochloride (CID 87417987) is methyl 3-amino-3-hydroxypropanoate;hydrochloride.
What is the SMILES notation for methyl 3-amino-3-hydroxypropanoate;hydrochloride?
The canonical SMILES for methyl 3-amino-3-hydroxypropanoate;hydrochloride is COC(=O)CC(N)O.Cl.
What is the InChIKey of methyl 3-amino-3-hydroxypropanoate;hydrochloride?
The InChIKey is RKECHOZZLAWPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3.ClH/c1-8-4(7)2-3(5)6;/h3,6H,2,5H2,1H3;1H.
What are the key properties of methyl 3-amino-3-hydroxypropanoate;hydrochloride?
methyl 3-amino-3-hydroxypropanoate;hydrochloride has a molecular weight of 155.58 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-3-hydroxypropanoate;hydrochloride is sourced from PubChem (CID 87417987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).