(2R)-5-amino-2-(1-methoxybutan-2-ylcarbamoylamino)-5-oxopentanoic acid

C11H21N3O5 — CID 107830928

IUPAC(2R)-5-amino-2-(1-methoxybutan-2-ylcarbamoylamino)-5-oxopentanoic acid
SMILESCCC(COC)NC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-3-7(6-19-2)13-11(18)14-8(10(16)17)4-5-9(12)15/h7-8H,3-6H2,1-2H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t7?,8-/m1/s1
InChIKeyLQXWDKROOXNGCP-BRFYHDHCSA-N
MW275.31 g/mol
LogP-0.57
Rot. Bonds9

About (2R)-5-amino-2-(1-methoxybutan-2-ylcarbamoylamino)-5-oxopentanoic acid

(2R)-5-amino-2-(1-methoxybutan-2-ylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 107830928) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2R)-5-amino-2-(1-methoxybutan-2-ylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-(1-methoxybutan-2-ylcarbamoylamino)-5-oxopentanoic acid
PubChem CID107830928
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name(2R)-5-amino-2-(1-methoxybutan-2-ylcarbamoylamino)-5-oxopentanoic acid
SMILESCCC(COC)NC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-3-7(6-19-2)13-11(18)14-8(10(16)17)4-5-9(12)15/h7-8H,3-6H2,1-2H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t7?,8-/m1/s1
InChIKeyLQXWDKROOXNGCP-BRFYHDHCSA-N
XLogP-0.57
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid
CID 61188845
(2S)-2-(1-methoxybutan-2-ylcarbamoylamino)pentanoic acid
CID 107567087
(2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 107830456
(2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 63996158
(2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61465945
(2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61189349
(2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107830441
(2R)-5-amino-2-[(2-amino-3-methoxypropanoyl)amino]-5-oxopentanoic acid
CID 107830338
5-amino-2-[(1-carboxy-4-oxobutyl)carbamoylamino]-5-oxopentanoic acid
CID 137398829
2-(hexan-3-ylcarbamoylamino)pentanedioic acid
CID 62119711
5-amino-2-[(1-carboxy-4-hydroxybutyl)carbamoylamino]-5-oxopentanoic acid
CID 123228019
5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61199539

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-(1-methoxybutan-2-ylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-(1-methoxybutan-2-ylcarbamoylamino)-5-oxopentanoic acid (CID 107830928) is (2R)-5-amino-2-(1-methoxybutan-2-ylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-(1-methoxybutan-2-ylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-(1-methoxybutan-2-ylcarbamoylamino)-5-oxopentanoic acid is CCC(COC)NC(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-(1-methoxybutan-2-ylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is LQXWDKROOXNGCP-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-3-7(6-19-2)13-11(18)14-8(10(16)17)4-5-9(12)15/h7-8H,3-6H2,1-2H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t7?,8-/m1/s1.
What are the key properties of (2R)-5-amino-2-(1-methoxybutan-2-ylcarbamoylamino)-5-oxopentanoic acid?
(2R)-5-amino-2-(1-methoxybutan-2-ylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 275.31 g/mol, XLogP of -0.57, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-(1-methoxybutan-2-ylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 107830928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).