methyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate

C10H21NO4 — CID 104644316

IUPACmethyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate
SMILESCOCC(C)CNCC(C)(O)C(=O)OC
InChIInChI=1S/C10H21NO4/c1-8(6-14-3)5-11-7-10(2,13)9(12)15-4/h8,11,13H,5-7H2,1-4H3
InChIKeyWLHSYAHFNXGQJD-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.22
Rot. Bonds7

About methyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate

methyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate (PubChem CID 104644316) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate
PubChem CID104644316
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Namemethyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate
SMILESCOCC(C)CNCC(C)(O)C(=O)OC
InChIInChI=1S/C10H21NO4/c1-8(6-14-3)5-11-7-10(2,13)9(12)15-4/h8,11,13H,5-7H2,1-4H3
InChIKeyWLHSYAHFNXGQJD-UHFFFAOYSA-N
XLogP-0.22
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate
CID 104644413
methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate
CID 104643639
methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropanoate
CID 79624700
methyl 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-hydroxy-2-methylpropanoate
CID 104644477
1-N-(3-methoxy-2-methylpropyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 115688254
methyl 2-hydroxy-2-methyl-3-(4-methylpentylamino)propanoate
CID 104644089
methyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-2-methylpropanoate
CID 104644556
methyl 2,2-dimethyl-3-(2,3,3-trimethylbutylamino)propanoate
CID 83143662
methyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate
CID 104645029
2-acetamido-3-[(3-methoxy-2-methylpropyl)amino]propanoic acid
CID 64582080
methyl N-(3-methoxy-2-methylpropyl)carbamate
CID 115593989
methyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate
CID 104643624

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate (CID 104644316) is methyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate is COCC(C)CNCC(C)(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate?
The InChIKey is WLHSYAHFNXGQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-8(6-14-3)5-11-7-10(2,13)9(12)15-4/h8,11,13H,5-7H2,1-4H3.
What are the key properties of methyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate?
methyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate has a molecular weight of 219.28 g/mol, XLogP of -0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate is sourced from PubChem (CID 104644316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).