methyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate

C11H22N2O4 — CID 23573227

IUPACmethyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CN)NC(CC(C)C)C(=O)OC
InChIInChI=1S/C11H22N2O4/c1-7(2)5-8(10(14)16-3)13-9(6-12)11(15)17-4/h7-9,13H,5-6,12H2,1-4H3
InChIKeyDQWGGWGERHWBFW-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.34
Rot. Bonds7

About methyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate

methyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate (PubChem CID 23573227) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate
PubChem CID23573227
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Namemethyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CN)NC(CC(C)C)C(=O)OC
InChIInChI=1S/C11H22N2O4/c1-7(2)5-8(10(14)16-3)13-9(6-12)11(15)17-4/h7-9,13H,5-6,12H2,1-4H3
InChIKeyDQWGGWGERHWBFW-UHFFFAOYSA-N
XLogP-0.34
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate with MolForge

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Related Compounds

methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583
methyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate
CID 112743189
methyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate
CID 65338075
methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate
CID 62901379
methyl 2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoate
CID 102868458
methyl (2R)-2-(chloroamino)-4-methylpentanoate
CID 59125779
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
methyl (2S)-2-[[(2S)-3-amino-2-hydroxypropanoyl]amino]-4-methylpentanoate
CID 129012241
methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
methyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate
CID 166823747
methyl 2-[(4-amino-3-methylbutanoyl)amino]-4-methylpentanoate
CID 81076154
methyl (2S)-2-[[(3S)-3-(aminomethyl)-5-methylhexanoyl]amino]-4-methylpentanoate
CID 103954861

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate (CID 23573227) is methyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate is COC(=O)C(CN)NC(CC(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate?
The InChIKey is DQWGGWGERHWBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-7(2)5-8(10(14)16-3)13-9(6-12)11(15)17-4/h7-9,13H,5-6,12H2,1-4H3.
What are the key properties of methyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate?
methyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate has a molecular weight of 246.31 g/mol, XLogP of -0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate is sourced from PubChem (CID 23573227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).