(2R)-5-methoxy-2-(2-methoxypropylcarbamoylamino)-5-oxopentanoic acid

C11H20N2O6 — CID 114005908

IUPAC(2R)-5-methoxy-2-(2-methoxypropylcarbamoylamino)-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NCC(C)OC)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-7(18-2)6-12-11(17)13-8(10(15)16)4-5-9(14)19-3/h7-8H,4-6H2,1-3H3,(H,15,16)(H2,12,13,17)/t7?,8-/m1/s1
InChIKeyPTBANTDBXUDLKK-BRFYHDHCSA-N
MW276.29 g/mol
LogP-0.27
Rot. Bonds8

About (2R)-5-methoxy-2-(2-methoxypropylcarbamoylamino)-5-oxopentanoic acid

(2R)-5-methoxy-2-(2-methoxypropylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 114005908) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2R)-5-methoxy-2-(2-methoxypropylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-2-(2-methoxypropylcarbamoylamino)-5-oxopentanoic acid
PubChem CID114005908
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name(2R)-5-methoxy-2-(2-methoxypropylcarbamoylamino)-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NCC(C)OC)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-7(18-2)6-12-11(17)13-8(10(15)16)4-5-9(14)19-3/h7-8H,4-6H2,1-3H3,(H,15,16)(H2,12,13,17)/t7?,8-/m1/s1
InChIKeyPTBANTDBXUDLKK-BRFYHDHCSA-N
XLogP-0.27
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107826511
(2R)-5-methoxy-2-(4-methylpentylcarbamoylamino)-5-oxopentanoic acid
CID 107827677
(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107825526
(2S)-2-[2-(carbamoylamino)ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828756
(2R)-2-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828859
(2S)-2-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828861
(2R)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107826825
(2R)-5-methoxy-5-oxo-2-(pentylcarbamoylamino)pentanoic acid
CID 107825606
(2S)-5-methoxy-2-[3-(methylamino)propylcarbamoylamino]-5-oxopentanoic acid
CID 107826533
(2R)-5-methoxy-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-5-oxopentanoic acid
CID 107829264
(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 114005417
(2R)-5-methoxy-2-(4-methoxybutylcarbamoylamino)-5-oxopentanoic acid
CID 107827213

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-2-(2-methoxypropylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2R)-5-methoxy-2-(2-methoxypropylcarbamoylamino)-5-oxopentanoic acid (CID 114005908) is (2R)-5-methoxy-2-(2-methoxypropylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-2-(2-methoxypropylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-methoxy-2-(2-methoxypropylcarbamoylamino)-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)NCC(C)OC)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-2-(2-methoxypropylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is PTBANTDBXUDLKK-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-7(18-2)6-12-11(17)13-8(10(15)16)4-5-9(14)19-3/h7-8H,4-6H2,1-3H3,(H,15,16)(H2,12,13,17)/t7?,8-/m1/s1.
What are the key properties of (2R)-5-methoxy-2-(2-methoxypropylcarbamoylamino)-5-oxopentanoic acid?
(2R)-5-methoxy-2-(2-methoxypropylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 276.29 g/mol, XLogP of -0.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-2-(2-methoxypropylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 114005908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).