methyl (5R)-5-amino-2-hydroxy-4-oxohexanoate

C7H13NO4 — CID 174417154

IUPACmethyl (5R)-5-amino-2-hydroxy-4-oxohexanoate
SMILESCOC(=O)C(O)CC(=O)[C@@H](C)N
InChIInChI=1S/C7H13NO4/c1-4(8)5(9)3-6(10)7(11)12-2/h4,6,10H,3,8H2,1-2H3/t4-,6?/m1/s1
InChIKeyMEWQOHAVIKIKLO-NJXYFUOMSA-N
MW175.18 g/mol
LogP-1.17
Rot. Bonds4

About methyl (5R)-5-amino-2-hydroxy-4-oxohexanoate

methyl (5R)-5-amino-2-hydroxy-4-oxohexanoate (PubChem CID 174417154) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is methyl (5R)-5-amino-2-hydroxy-4-oxohexanoate.

Molecular Properties

Compound Namemethyl (5R)-5-amino-2-hydroxy-4-oxohexanoate
PubChem CID174417154
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Namemethyl (5R)-5-amino-2-hydroxy-4-oxohexanoate
SMILESCOC(=O)C(O)CC(=O)[C@@H](C)N
InChIInChI=1S/C7H13NO4/c1-4(8)5(9)3-6(10)7(11)12-2/h4,6,10H,3,8H2,1-2H3/t4-,6?/m1/s1
InChIKeyMEWQOHAVIKIKLO-NJXYFUOMSA-N
XLogP-1.17
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-ethyl-2-hydroxy-4-oxoheptanoate
CID 19688722
methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate
CID 103846044
methyl 2-aminopropanoate
CID 159707893
methanol;methyl 2,3-dihydroxypropanoate
CID 174804143
methyl 3-amino-2-hydroxybutanoate;hydrochloride
CID 135262653
methyl (2S)-2-hydroxy-5,5-dimethyl-4-oxohexanoate
CID 155654768
methyl 2-hydroxy-3-(propan-2-ylamino)propanoate
CID 103491574
methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate
CID 135210741
methyl (2S,3R)-2-hydroxy-3-methylpentanoate
CID 13262415
methyl 2-hydroxy-3-(methylamino)propanoate
CID 86646378
methyl 2-hydroxypentanoate
CID 543619
methyl (2R,3R)-2-hydroxy-3-methylpentanoate
CID 13262413

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-5-amino-2-hydroxy-4-oxohexanoate?
The IUPAC name of methyl (5R)-5-amino-2-hydroxy-4-oxohexanoate (CID 174417154) is methyl (5R)-5-amino-2-hydroxy-4-oxohexanoate.
What is the SMILES notation for methyl (5R)-5-amino-2-hydroxy-4-oxohexanoate?
The canonical SMILES for methyl (5R)-5-amino-2-hydroxy-4-oxohexanoate is COC(=O)C(O)CC(=O)[C@@H](C)N.
What is the InChIKey of methyl (5R)-5-amino-2-hydroxy-4-oxohexanoate?
The InChIKey is MEWQOHAVIKIKLO-NJXYFUOMSA-N. The full InChI is InChI=1S/C7H13NO4/c1-4(8)5(9)3-6(10)7(11)12-2/h4,6,10H,3,8H2,1-2H3/t4-,6?/m1/s1.
What are the key properties of methyl (5R)-5-amino-2-hydroxy-4-oxohexanoate?
methyl (5R)-5-amino-2-hydroxy-4-oxohexanoate has a molecular weight of 175.18 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-5-amino-2-hydroxy-4-oxohexanoate is sourced from PubChem (CID 174417154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).