2-hydroxy-3-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]propanoic acid

C11H20N2O6 — CID 66164909

IUPAC2-hydroxy-3-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]propanoic acid
SMILESCOC(=O)C(CC(C)C)NC(=O)NCC(O)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-6(2)4-7(10(17)19-3)13-11(18)12-5-8(14)9(15)16/h6-8,14H,4-5H2,1-3H3,(H,15,16)(H2,12,13,18)
InChIKeyZEQSIARILCZOJR-UHFFFAOYSA-N
MW276.29 g/mol
LogP-0.68
Rot. Bonds7

About 2-hydroxy-3-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]propanoic acid

2-hydroxy-3-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]propanoic acid (PubChem CID 66164909) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-hydroxy-3-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]propanoic acid
PubChem CID66164909
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name2-hydroxy-3-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]propanoic acid
SMILESCOC(=O)C(CC(C)C)NC(=O)NCC(O)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-6(2)4-7(10(17)19-3)13-11(18)12-5-8(14)9(15)16/h6-8,14H,4-5H2,1-3H3,(H,15,16)(H2,12,13,18)
InChIKeyZEQSIARILCZOJR-UHFFFAOYSA-N
XLogP-0.68
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid
CID 7640764
methyl (2S)-2-[[(2S)-2-hydroxypentanoyl]amino]-4-methylpentanoate
CID 58691175
methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate
CID 85353030
(2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid
CID 102907074
methyl (2S)-2-[[(2S)-3-amino-2-hydroxypropanoyl]amino]-4-methylpentanoate
CID 129012241
methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
3-(butan-2-ylcarbamoylamino)-2-hydroxypropanoic acid
CID 66166107
2-[(2-methoxy-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 61183537
(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 61183372
(2S)-2-[(2-carboxy-2-hydroxyethyl)amino]-4-methylpentanoic acid
CID 91147914
2-[[(2S)-1-[[(2S)-1-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylpentanoic acid
CID 10390668
(2S)-2-hydroxy-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid
CID 107840287

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]propanoic acid (CID 66164909) is 2-hydroxy-3-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]propanoic acid is COC(=O)C(CC(C)C)NC(=O)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]propanoic acid?
The InChIKey is ZEQSIARILCZOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-6(2)4-7(10(17)19-3)13-11(18)12-5-8(14)9(15)16/h6-8,14H,4-5H2,1-3H3,(H,15,16)(H2,12,13,18).
What are the key properties of 2-hydroxy-3-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]propanoic acid?
2-hydroxy-3-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]propanoic acid has a molecular weight of 276.29 g/mol, XLogP of -0.68, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 66164909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).