(2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid

C11H19N3O5 — CID 114006113

IUPAC(2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid
SMILESCC1OCCC1NC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H19N3O5/c1-6-7(4-5-19-6)13-11(18)14-8(10(16)17)2-3-9(12)15/h6-8H,2-5H2,1H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t6?,7?,8-/m1/s1
InChIKeyONQYTNCRHPVITR-KAVNDROISA-N
MW273.29 g/mol
LogP-0.82
Rot. Bonds6

About (2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid

(2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 114006113) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid
PubChem CID114006113
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name(2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid
SMILESCC1OCCC1NC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H19N3O5/c1-6-7(4-5-19-6)13-11(18)14-8(10(16)17)2-3-9(12)15/h6-8H,2-5H2,1H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t6?,7?,8-/m1/s1
InChIKeyONQYTNCRHPVITR-KAVNDROISA-N
XLogP-0.82
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methyloxolan-3-yl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 82728872
(2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 107830518
5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61408424
(2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 104937664
5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61199710
(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid
CID 107830466
2-[(2-methyloxolan-3-yl)carbamoylamino]-3-phenylpropanoic acid
CID 82728421
5-amino-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-5-oxopentanoic acid
CID 83034512
(2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
CID 107830570
(2S)-5-amino-5-oxo-2-(thian-3-ylcarbamoylamino)pentanoic acid
CID 113364258
2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid
CID 82728122
5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 64743920

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid (CID 114006113) is (2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid is CC1OCCC1NC(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is ONQYTNCRHPVITR-KAVNDROISA-N. The full InChI is InChI=1S/C11H19N3O5/c1-6-7(4-5-19-6)13-11(18)14-8(10(16)17)2-3-9(12)15/h6-8H,2-5H2,1H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t6?,7?,8-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 273.29 g/mol, XLogP of -0.82, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 114006113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).