methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate

C9H19NO4 — CID 104643639

IUPACmethyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate
SMILESCOCC(C)NCC(C)(O)C(=O)OC
InChIInChI=1S/C9H19NO4/c1-7(5-13-3)10-6-9(2,12)8(11)14-4/h7,10,12H,5-6H2,1-4H3
InChIKeyQEASKFQRZNOMSH-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.47
Rot. Bonds6

About methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate

methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate (PubChem CID 104643639) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate
PubChem CID104643639
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Namemethyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate
SMILESCOCC(C)NCC(C)(O)C(=O)OC
InChIInChI=1S/C9H19NO4/c1-7(5-13-3)10-6-9(2,12)8(11)14-4/h7,10,12H,5-6H2,1-4H3
InChIKeyQEASKFQRZNOMSH-UHFFFAOYSA-N
XLogP-0.47
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
CID 104643638
methyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate
CID 104643624
methyl 2-hydroxy-3-(4-hydroxybutan-2-ylamino)-2-methylpropanoate
CID 104644967
methyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate
CID 104644757
methyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-2-methylpropanoate
CID 104644556
methyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate
CID 104644316
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
2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
CID 104644611
N-(1-methoxypropan-2-yl)-2,2-dimethylbutan-1-amine
CID 103460407
methyl 2-hydroxy-2-methyl-3-(1-phenylethylamino)propanoate
CID 104643578
tert-butyl (2R)-2-hydroxy-2-methyl-3-[[(2R)-4-methylpentan-2-yl]amino]propanoate
CID 97308748

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate?
The IUPAC name of methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate (CID 104643639) is methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate?
The canonical SMILES for methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate is COCC(C)NCC(C)(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate?
The InChIKey is QEASKFQRZNOMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-7(5-13-3)10-6-9(2,12)8(11)14-4/h7,10,12H,5-6H2,1-4H3.
What are the key properties of methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate?
methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate has a molecular weight of 205.25 g/mol, XLogP of -0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate is sourced from PubChem (CID 104643639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).