methyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate

C10H21NO4 — CID 104644757

IUPACmethyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CNC(C)CCCO
InChIInChI=1S/C10H21NO4/c1-8(5-4-6-12)11-7-10(2,14)9(13)15-3/h8,11-12,14H,4-7H2,1-3H3
InChIKeyDNWDEDHJIWBSOX-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.34
Rot. Bonds7

About methyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate

methyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate (PubChem CID 104644757) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate
PubChem CID104644757
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Namemethyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CNC(C)CCCO
InChIInChI=1S/C10H21NO4/c1-8(5-4-6-12)11-7-10(2,14)9(13)15-3/h8,11-12,14H,4-7H2,1-3H3
InChIKeyDNWDEDHJIWBSOX-UHFFFAOYSA-N
XLogP-0.34
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-3-(4-hydroxybutan-2-ylamino)-2-methylpropanoate
CID 104644967
methyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate
CID 104643624
methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate
CID 104643639
methyl 3-(heptan-2-ylamino)-2,2-dimethylpropanoate
CID 79623539
methyl 2-hydroxy-2-methyl-3-(4-methylpentylamino)propanoate
CID 104644089
4-(2,2-diethylbutylamino)pentan-1-ol
CID 115973347
2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
CID 104643638
methyl 2,2-dimethyl-3-(5-methylhexan-2-ylamino)propanoate
CID 79624794
methyl 2-[(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)amino]-4-methylpentanoate
CID 104644259
methyl 2-hydroxy-2-methyl-3-(1-thiophen-2-ylpropan-2-ylamino)propanoate
CID 104644473
methyl 3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropanoate
CID 79623523
methyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-2-methylpropanoate
CID 104644556

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate?
The IUPAC name of methyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate (CID 104644757) is methyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate?
The canonical SMILES for methyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate is COC(=O)C(C)(O)CNC(C)CCCO.
What is the InChIKey of methyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate?
The InChIKey is DNWDEDHJIWBSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-8(5-4-6-12)11-7-10(2,14)9(13)15-3/h8,11-12,14H,4-7H2,1-3H3.
What are the key properties of methyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate?
methyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate has a molecular weight of 219.28 g/mol, XLogP of -0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate is sourced from PubChem (CID 104644757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).