methyl (4R)-4-hydroxy-5-(methylamino)pentanoate

C7H15NO3 — CID 129125188

IUPACmethyl (4R)-4-hydroxy-5-(methylamino)pentanoate
SMILESCNC[C@H](O)CCC(=O)OC
InChIInChI=1S/C7H15NO3/c1-8-5-6(9)3-4-7(10)11-2/h6,8-9H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyJEPDHMWXABLJAN-ZCFIWIBFSA-N
MW161.20 g/mol
LogP-0.48
Rot. Bonds5

About methyl (4R)-4-hydroxy-5-(methylamino)pentanoate

methyl (4R)-4-hydroxy-5-(methylamino)pentanoate (PubChem CID 129125188) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is methyl (4R)-4-hydroxy-5-(methylamino)pentanoate.

Molecular Properties

Compound Namemethyl (4R)-4-hydroxy-5-(methylamino)pentanoate
PubChem CID129125188
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namemethyl (4R)-4-hydroxy-5-(methylamino)pentanoate
SMILESCNC[C@H](O)CCC(=O)OC
InChIInChI=1S/C7H15NO3/c1-8-5-6(9)3-4-7(10)11-2/h6,8-9H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyJEPDHMWXABLJAN-ZCFIWIBFSA-N
XLogP-0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate
CID 115123592
methyl 4,8-dihydroxyoctanoate
CID 174750860
methyl 4-hydroxy-5-nitropentanoate
CID 75032951
methyl 4-hydroxyoctadecanoate
CID 559005
bis(3-methoxy-3-oxopropyl)tin;dihydrochloride
CID 74765132
dimethyl 4-methylheptanedioate
CID 521222
methyl 4-hydroxy-5-[(3-methylthiophen-2-yl)amino]pentanoate
CID 115123526
methyl 4-hydroxy-5-[(1-methylpyrrolidin-3-yl)amino]pentanoate
CID 115123524
methyl 4-hydroxy-5-(2,3,4-trimethylanilino)pentanoate
CID 115123520
methyl 4-hydroxy-5-(pyridin-2-ylamino)pentanoate
CID 115123515
methyl 8-ethoxy-4-hydroxyoctanoate
CID 138564422
methyl 4-hydroxy-6-nitrooctanoate
CID 12028012

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-hydroxy-5-(methylamino)pentanoate?
The IUPAC name of methyl (4R)-4-hydroxy-5-(methylamino)pentanoate (CID 129125188) is methyl (4R)-4-hydroxy-5-(methylamino)pentanoate.
What is the SMILES notation for methyl (4R)-4-hydroxy-5-(methylamino)pentanoate?
The canonical SMILES for methyl (4R)-4-hydroxy-5-(methylamino)pentanoate is CNC[C@H](O)CCC(=O)OC.
What is the InChIKey of methyl (4R)-4-hydroxy-5-(methylamino)pentanoate?
The InChIKey is JEPDHMWXABLJAN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NO3/c1-8-5-6(9)3-4-7(10)11-2/h6,8-9H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of methyl (4R)-4-hydroxy-5-(methylamino)pentanoate?
methyl (4R)-4-hydroxy-5-(methylamino)pentanoate has a molecular weight of 161.20 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-hydroxy-5-(methylamino)pentanoate is sourced from PubChem (CID 129125188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).