methyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate

C10H21NO3 — CID 104644413

IUPACmethyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate
SMILESCCC(C)CNCC(C)(O)C(=O)OC
InChIInChI=1S/C10H21NO3/c1-5-8(2)6-11-7-10(3,13)9(12)14-4/h8,11,13H,5-7H2,1-4H3
InChIKeyPMTONQKDBKHMHU-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.55
Rot. Bonds6

About methyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate

methyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate (PubChem CID 104644413) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate
PubChem CID104644413
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Namemethyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate
SMILESCCC(C)CNCC(C)(O)C(=O)OC
InChIInChI=1S/C10H21NO3/c1-5-8(2)6-11-7-10(3,13)9(12)14-4/h8,11,13H,5-7H2,1-4H3
InChIKeyPMTONQKDBKHMHU-UHFFFAOYSA-N
XLogP0.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate
CID 104644316
methyl 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-hydroxy-2-methylpropanoate
CID 104644477
methyl 2-hydroxy-2-methyl-3-(4-methylpentylamino)propanoate
CID 104644089
methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropanoate
CID 79624700
methyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate
CID 104643624
methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate
CID 104643639
2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid
CID 104644680
methyl 2-hydroxy-3-(4-hydroxybutan-2-ylamino)-2-methylpropanoate
CID 104644967
methyl 2-hydroxy-2-methyl-3-(pent-3-ynylamino)propanoate
CID 116643935
methyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 104643690
2-N-ethyl-2-methyl-1-N-(2-methylbutyl)propane-1,2-diamine
CID 62835035
methyl 2-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylpropanoate
CID 113436539

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate (CID 104644413) is methyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate is CCC(C)CNCC(C)(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate?
The InChIKey is PMTONQKDBKHMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-5-8(2)6-11-7-10(3,13)9(12)14-4/h8,11,13H,5-7H2,1-4H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate?
methyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate has a molecular weight of 203.28 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate is sourced from PubChem (CID 104644413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).