methyl 2,5-diamino-2-hydroxypentanoate

C6H14N2O3 — CID 139916630

IUPACmethyl 2,5-diamino-2-hydroxypentanoate
SMILESCOC(=O)C(N)(O)CCCN
InChIInChI=1S/C6H14N2O3/c1-11-5(9)6(8,10)3-2-4-7/h10H,2-4,7-8H2,1H3
InChIKeyDIGYXXSQZBJOOX-UHFFFAOYSA-N
MW162.19 g/mol
LogP-1.45
Rot. Bonds4

About methyl 2,5-diamino-2-hydroxypentanoate

methyl 2,5-diamino-2-hydroxypentanoate (PubChem CID 139916630) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is methyl 2,5-diamino-2-hydroxypentanoate.

Molecular Properties

Compound Namemethyl 2,5-diamino-2-hydroxypentanoate
PubChem CID139916630
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Namemethyl 2,5-diamino-2-hydroxypentanoate
SMILESCOC(=O)C(N)(O)CCCN
InChIInChI=1S/C6H14N2O3/c1-11-5(9)6(8,10)3-2-4-7/h10H,2-4,7-8H2,1H3
InChIKeyDIGYXXSQZBJOOX-UHFFFAOYSA-N
XLogP-1.45
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-2-hydroxytetradecanoate
CID 174591192
azane;methyl 2-amino-2-hydroxytetradecanoate
CID 174591191
dimethyl 2,2-bis(3-aminopropyl)propanedioate;dihydrochloride
CID 22364631
methyl 5-amino-2,2-diethylpentanoate
CID 18784900
methyl 2,6-diamino-2-(difluoromethyl)hexanoate
CID 13315051
methyl 2-amino-2,2-dihydroxyacetate
CID 123538749
methyl 2-amino-2-butylhexanoate;hydrochloride
CID 162216697
methyl 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoate
CID 104645223
methyl (2R)-2-amino-2-methylhexanoate
CID 155453684
tert-butyl (2S)-2,5-diamino-2-methylpentanoate
CID 54077962
methyl 3-(3-aminopropylsulfanyl)-2,2-dimethylpropanoate
CID 79630231
methyl 2-amino-6-hydroxy-2-methylhexanoate
CID 88883524

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-diamino-2-hydroxypentanoate?
The IUPAC name of methyl 2,5-diamino-2-hydroxypentanoate (CID 139916630) is methyl 2,5-diamino-2-hydroxypentanoate.
What is the SMILES notation for methyl 2,5-diamino-2-hydroxypentanoate?
The canonical SMILES for methyl 2,5-diamino-2-hydroxypentanoate is COC(=O)C(N)(O)CCCN.
What is the InChIKey of methyl 2,5-diamino-2-hydroxypentanoate?
The InChIKey is DIGYXXSQZBJOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-11-5(9)6(8,10)3-2-4-7/h10H,2-4,7-8H2,1H3.
What are the key properties of methyl 2,5-diamino-2-hydroxypentanoate?
methyl 2,5-diamino-2-hydroxypentanoate has a molecular weight of 162.19 g/mol, XLogP of -1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-diamino-2-hydroxypentanoate is sourced from PubChem (CID 139916630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).