methyl 5-amino-3-hydroxypentanoate

C6H13NO3 — CID 71369778

IUPACmethyl 5-amino-3-hydroxypentanoate
SMILESCOC(=O)CC(O)CCN
InChIInChI=1S/C6H13NO3/c1-10-6(9)4-5(8)2-3-7/h5,8H,2-4,7H2,1H3
InChIKeyYBRGHKITZGEMPI-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.74
Rot. Bonds4

About methyl 5-amino-3-hydroxypentanoate

methyl 5-amino-3-hydroxypentanoate (PubChem CID 71369778) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is methyl 5-amino-3-hydroxypentanoate.

Molecular Properties

Compound Namemethyl 5-amino-3-hydroxypentanoate
PubChem CID71369778
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namemethyl 5-amino-3-hydroxypentanoate
SMILESCOC(=O)CC(O)CCN
InChIInChI=1S/C6H13NO3/c1-10-6(9)4-5(8)2-3-7/h5,8H,2-4,7H2,1H3
InChIKeyYBRGHKITZGEMPI-UHFFFAOYSA-N
XLogP-0.74
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-3-hydroxy-5-methylhexanoate
CID 10920813
methyl 3-amino-3-hydroxypropanoate;hydrochloride
CID 87417987
methyl (E,3R,6R)-3,9-dihydroxy-6-methyldec-7-enoate
CID 162415719
1-O-ethyl 8-O-methyl (3R)-3-hydroxyoctanedioate
CID 54453835
methyl (3S)-3-hydroxy-5-phenylpentanoate
CID 11745842
methyl (3S,5S)-3,5-dihydroxynonanoate
CID 101496571
methyl 6-amino-3-(dimethylamino)hexanoate
CID 148654494
CID 158648791
CID 158648791
dimethyl 3,7,11,15-tetraamino-5,9,13-trihydroxyheptadecanedioate
CID 57204139
dimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride
CID 88760531
(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate
CID 134215716
methyl 3,3-diaminopropanoate;hydrochloride
CID 140507920

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-hydroxypentanoate?
The IUPAC name of methyl 5-amino-3-hydroxypentanoate (CID 71369778) is methyl 5-amino-3-hydroxypentanoate.
What is the SMILES notation for methyl 5-amino-3-hydroxypentanoate?
The canonical SMILES for methyl 5-amino-3-hydroxypentanoate is COC(=O)CC(O)CCN.
What is the InChIKey of methyl 5-amino-3-hydroxypentanoate?
The InChIKey is YBRGHKITZGEMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-10-6(9)4-5(8)2-3-7/h5,8H,2-4,7H2,1H3.
What are the key properties of methyl 5-amino-3-hydroxypentanoate?
methyl 5-amino-3-hydroxypentanoate has a molecular weight of 147.17 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-hydroxypentanoate is sourced from PubChem (CID 71369778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).