methyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate

C10H21NO3 — CID 104643624

IUPACmethyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate
SMILESCCCC(C)NCC(C)(O)C(=O)OC
InChIInChI=1S/C10H21NO3/c1-5-6-8(2)11-7-10(3,13)9(12)14-4/h8,11,13H,5-7H2,1-4H3
InChIKeyNKFOQRYTGOIKOU-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.69
Rot. Bonds6

About methyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate

methyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate (PubChem CID 104643624) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate
PubChem CID104643624
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Namemethyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate
SMILESCCCC(C)NCC(C)(O)C(=O)OC
InChIInChI=1S/C10H21NO3/c1-5-6-8(2)11-7-10(3,13)9(12)14-4/h8,11,13H,5-7H2,1-4H3
InChIKeyNKFOQRYTGOIKOU-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-methoxypropan-2-ylamino)-2-methylpropanoate
CID 104643639
methyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-2-methylpropanoate
CID 104644556
2-methyl-1-(pentan-2-ylamino)propan-2-ol
CID 60885275
methyl 3-(heptan-2-ylamino)-2,2-dimethylpropanoate
CID 79623539
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 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate
CID 104644413
methyl 2-hydroxy-3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 104644838
methyl 2-hydroxy-2-methyl-3-(1-phenylethylamino)propanoate
CID 104643578

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate (CID 104643624) is methyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate is CCCC(C)NCC(C)(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate?
The InChIKey is NKFOQRYTGOIKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-5-6-8(2)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-(pentan-2-ylamino)propanoate?
methyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate has a molecular weight of 203.28 g/mol, XLogP of 0.69, 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-(pentan-2-ylamino)propanoate is sourced from PubChem (CID 104643624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).